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7-isocyanato-7,8-dihydro-.alpha.-bisabolene
SpectraBase Compound ID LHCrOLO32oO
InChI InChI=1S/C16H25NO/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,15H,5,8-11H2,1-4H3
InChIKey FYJDWZLUQLPLNO-UHFFFAOYSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfRcY60yIBD
Name 7-isocyanato-7,8-dihydro-.alpha.-bisabolene
CAS Registry Number 105281-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,15H,5,8-11H2,1-4H3
InChIKey FYJDWZLUQLPLNO-UHFFFAOYSA-N
Molecular Weight 247.382 g/mol
SMILES C(N=C=O)(C1CC=C(CC1)C)(CCC=C(C)C)C
SPLASH splash10-00kg-9020000000-8062c148d6e0eba1f72a
Source of Spectrum J-51-5139-9
Synonyms 4-(1-isocyanato-1,5-dimethyl-4-hexenyl)-1-methyl-1-cyclohexene
Wiley ID 1250260