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8-.beta.-Hydroxy-des-A,B-cholestan-18-nitrile
SpectraBase Compound ID 2tKiX2DSKHg
InChI InChI=1S/C18H31NO/c1-13(2)6-4-7-14(3)15-9-10-16-17(20)8-5-11-18(15,16)12-19/h13-17,20H,4-11H2,1-3H3/t14-,15?,16+,17+,18+/m1/s1
InChIKey YEEMUDLFNKIDFM-GFPWTLKXSA-N
Mol Weight 277.45 g/mol
Molecular Formula C18H31NO
Exact Mass 277.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O0TAgGLAA1
Name 8-.beta.-Hydroxy-des-A,B-cholestan-18-nitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO
InChI InChI=1S/C18H31NO/c1-13(2)6-4-7-14(3)15-9-10-16-17(20)8-5-11-18(15,16)12-19/h13-17,20H,4-11H2,1-3H3/t14-,15?,16+,17+,18+/m1/s1
InChIKey YEEMUDLFNKIDFM-GFPWTLKXSA-N
Molecular Weight 277.452 g/mol
SMILES O[C@@]1([C@]2([C@](C(CC2)[C@@](CCCC(C)C)(C)[H])(C#N)CCC1)[H])[H]
SPLASH splash10-05fr-0390000000-a0969486d24e647cc895
Source of Spectrum E1-39-4503-9
Wiley ID 1599026