(1'S,5'S,1"S)-N-(1"-Phenylethyl)-2-[2'-methyl-5'-(2-propenyl)-2'-cyclohexen-1'-yl]acetamide

SpectraBase Compound ID	L2NVLvg2G6d
InChI	InChI=1S/C20H27NO/c1-4-8-17-12-11-15(2)19(13-17)14-20(22)21-16(3)18-9-6-5-7-10-18/h4-7,9-11,16-17,19H,1,8,12-14H2,2-3H3,(H,21,22)/t16-,17-,19-/m0/s1
InChIKey	LSRZBCMFSHLLAA-LNLFQRSKSA-N Google Search
Mol Weight	297.44 g/mol
Molecular Formula	C20H27NO
Exact Mass	297.209264 g/mol

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SpectraBase Spectrum ID	9Np3IXJpwQK
Name	(1'S,5'S,1''S)-N-(1''-Phenylethyl)-2-[2'-methyl-5'-(2-propenyl)-2'-cyclohexen-1'-yl]acetamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	297.209264492 u
Formula	C20H27NO
InChI	InChI=1S/C20H27NO/c1-4-8-17-12-11-15(2)19(13-17)14-20(22)21-16(3)18-9-6-5-7-10-18/h4-7,9-11,16-17,19H,1,8,12-14H2,2-3H3,(H,21,22)/t16-,17-,19-/m0/s1
InChIKey	LSRZBCMFSHLLAA-LNLFQRSKSA-N
SMILES	C(N[C@](C=1C=CC=CC1)(C)[H])(C[C@]1(C(=CC[C@@](C1)(CC=C)[H])C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.951848