For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilect-11(20),14-diene
SpectraBase Compound ID 4VMBbfoGBB1
InChI InChI=1S/C21H31N/c1-13(2)10-16-11-15(4)17-8-9-21(5,12-22)18-7-6-14(3)19(16)20(17)18/h10,15-20H,3,6-9,11H2,1-2,4-5H3/t15-,16-,17+,18-,19-,20+,21+/m0/s1
InChIKey FVLMFTXDYSOHDO-LGTVQRIOSA-N
Mol Weight 297.49 g/mol
Molecular Formula C21H31N
Exact Mass 297.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID MSXUtJtNkR
Name (1R*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilect-11(20),14-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N
InChI InChI=1S/C21H31N/c1-13(2)10-16-11-15(4)17-8-9-21(5,12-22)18-7-6-14(3)19(16)20(17)18/h10,15-20H,3,6-9,11H2,1-2,4-5H3/t15-,16-,17+,18-,19-,20+,21+/m0/s1
InChIKey FVLMFTXDYSOHDO-LGTVQRIOSA-N
Molecular Weight 297.486 g/mol
SMILES [C@@]12([C@@]3([C@](C=C(C)C)([H])C[C@@]([C@]2(CC[C@@]([C@]1(CCC3=C)[H])(C#N)C)[H])(C)[H])[H])[H]
SPLASH splash10-0zor-0090000000-46b9fc26bd8947ad75a8
Source of Spectrum J-61-3261-12
Synonyms (1S,3aR,4S,6R,6aS,9aS,9bR)-1,4-dimethyl-7-methylidene-6-(2-methylprop-1-enyl)-3,3a,4,5,6,6a,8,9,9a,9b-decahydro-2H-phenalene-1-carbonitrile
Wiley ID 1299760