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(1R,3E,7E,10S)-4,8,12,15,15-pentamethyl-10-bicyclo[9.3.1]pentadeca-3,7,11-trienecarbonitrile
SpectraBase Compound ID BFMdkdtd9k6
InChI InChI=1S/C21H31N/c1-15-7-6-8-16(2)13-18(14-22)20-17(3)10-12-19(11-9-15)21(20,4)5/h8-9,18-19H,6-7,10-13H2,1-5H3/b15-9+,16-8+/t18-,19+/m1/s1
InChIKey BBQIGSFCIOLDSB-IPUAHWMISA-N
Mol Weight 297.49 g/mol
Molecular Formula C21H31N
Exact Mass 297.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CThLdbceoha
Name (1R,3E,7E,10S)-4,8,12,15,15-pentamethyl-10-bicyclo[9.3.1]pentadeca-3,7,11-trienecarbonitrile
Alternate Name(s) (1R,3E,7E,10S)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7,11-triene-10-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N
InChI InChI=1S/C21H31N/c1-15-7-6-8-16(2)13-18(14-22)20-17(3)10-12-19(11-9-15)21(20,4)5/h8-9,18-19H,6-7,10-13H2,1-5H3/b15-9+,16-8+/t18-,19+/m1/s1
InChIKey BBQIGSFCIOLDSB-IPUAHWMISA-N
Molecular Weight 297.486 g/mol
SMILES C=12C([C@@](C\C=C/(C)CC\C=C\(C[C@@]2(C#N)[H])C)(CCC1C)[H])(C)C
SPLASH splash10-053r-0970000000-264d70e27bf6114c6ee6
Source of Spectrum AJ-69-226-8
Wiley ID 773630