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7-Isopropyl-6-methoxy-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carbonitrile
SpectraBase Compound ID 2mHeWBvvIdp
InChI InChI=1S/C21H29NO/c1-14(2)16-11-15-7-8-19-20(3,4)9-6-10-21(19,13-22)17(15)12-18(16)23-5/h11-12,14,19H,6-10H2,1-5H3/t19-,21+/m0/s1
InChIKey OLZITNGURBDAGF-PZJWPPBQSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cw4mr3jndz
Name 7-Isopropyl-6-methoxy-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-14(2)16-11-15-7-8-19-20(3,4)9-6-10-21(19,13-22)17(15)12-18(16)23-5/h11-12,14,19H,6-10H2,1-5H3/t19-,21+/m0/s1
InChIKey OLZITNGURBDAGF-PZJWPPBQSA-N
Molecular Weight 311.469 g/mol
SMILES [C@@]12(c3c(cc(c(c3)OC)C(C)C)CC[C@]1(C(C)(C)CCC2)[H])C#N
SPLASH splash10-01ot-0196000000-113a84d11d581aee3396
Source of Spectrum KC-0-3535-6
Synonyms (4aS,10aS)-7-Isopropyl-6-methoxy-1,1-dimethyl-1,3,4,9,10,10a-hexahydro-2H-phenanthrene-4a-carbonitrile 12-Methoxyabieta-8,11,13-triene-20-nitrile
Wiley ID 823882