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ent-(14.alpha. H)-13,15-cyclo-12-isocopalanecarbonitrile
SpectraBase Compound ID IOgVMQXTalA
InChI InChI=1S/C21H33N/c1-18(2)8-6-9-19(3)15(18)7-10-20(4)16(19)11-14(13-22)21(5)12-17(20)21/h14-17H,6-12H2,1-5H3/t14?,15?,16?,17-,19+,20-,21?/m0/s1
InChIKey CXTQIDCQQZHXKG-HEMOAHTNSA-N
Mol Weight 299.5 g/mol
Molecular Formula C21H33N
Exact Mass 299.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGVUrmHy20S
Name ent-(14.alpha. H)-13,15-cyclo-12-isocopalanecarbonitrile
CAS Registry Number 121452-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33N
InChI InChI=1S/C21H33N/c1-18(2)8-6-9-19(3)15(18)7-10-20(4)16(19)11-14(13-22)21(5)12-17(20)21/h14-17H,6-12H2,1-5H3/t14?,15?,16?,17-,19+,20-,21?/m0/s1
InChIKey CXTQIDCQQZHXKG-HEMOAHTNSA-N
Molecular Weight 299.502 g/mol
SMILES C12([C@@]([C@]3(CCC4[C@](C3CC2C#N)(CCCC4(C)C)C)C)([H])C1)C
SPLASH splash10-0080-0980000000-c10222ce8a44f842bab8
Source of Spectrum F-44-2519-28
Synonyms (1aS,1bS,7aR)-1b,4,4,7a,9a-pentamethyltetradecahydro-1H-cyclopropa[a]phenanthrene-9-carbonitrile
Wiley ID 1302276