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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

1-isothiocyanato-4-phenylbutane  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C11H13NS

inchi

  • InChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

inchikey

  • CCBQOLFAKKAMLD-UHFFFAOYSA-N

mass

  • 191.290

monoisotopicmass

  • 191.07687

smiles

  • S=C=NCCCCC1=CC=CC=C1

subset

  • 2_STAR

synonym EXACT

  • 4-isothiocyanatobutylbenzene

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:179058

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