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17-Methylene-5.alpha.-androstano-18-nitrile
SpectraBase Compound ID K4UZslNqZDl
InChI InChI=1S/C20H29N/c1-14-6-9-18-16-8-7-15-5-3-4-11-19(15,2)17(16)10-12-20(14,18)13-21/h15-18H,1,3-12H2,2H3/t15-,16-,17+,18+,19+,20+/m1/s1
InChIKey UCXBYAPFOSGBLD-MILMJNAHSA-N
Mol Weight 283.46 g/mol
Molecular Formula C20H29N
Exact Mass 283.23 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEpaldi1t38
Name 17-Methylene-5.alpha.-androstano-18-nitrile
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.229999938 u
Formula C20H29N
InChI InChI=1S/C20H29N/c1-14-6-9-18-16-8-7-15-5-3-4-11-19(15,2)17(16)10-12-20(14,18)13-21/h15-18H,1,3-12H2,2H3/t15-,16-,17+,18+,19+,20+/m1/s1
InChIKey UCXBYAPFOSGBLD-MILMJNAHSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502148
Optical Rotation [a]D20 = -58 (CH2Cl2, 1 g/L)
Quality 300
Reported Formula C20H29N
SMILES C1C[C@]2([C@](CC1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=C)[H])C#N)[H])[H])[H])C
SPLASH splash10-03di-9500000000-18e064e6a8c7ffd96cf0
Source of Spectrum QE-21-12506-12 (DOI: 10.1002/chem.201502148)
Wiley ID 1909165