(3R)-3-[(4S,5R)-2-keto-4-methyl-5-phenyl-oxazolidine-3-carbonyl]hex-5-enenitrile

SpectraBase Compound ID	AMu3Adcs1uH
InChI	InChI=1S/C17H18N2O3/c1-3-7-14(10-11-18)16(20)19-12(2)15(22-17(19)21)13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10H2,2H3/t12-,14+,15-/m0/s1
InChIKey	KBARKWABOFARGE-CFVMTHIKSA-N Google Search
Mol Weight	298.34 g/mol
Molecular Formula	C17H18N2O3
Exact Mass	298.131742 g/mol

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SpectraBase Spectrum ID	4KgBCKABYCy
Name	(3R)-3-[(4S,5R)-2-Keto-4-methyl-5-phenyl-oxazolidine-3-carbonyl]hex-5-enenitrile
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	298.131742445 u
Formula	C17H18N2O3
InChI	InChI=1S/C17H18N2O3/c1-3-7-14(10-11-18)16(20)19-12(2)15(22-17(19)21)13-8-5-4-6-9-13/h3-6,8-9,12,14-15H,1,7,10H2,2H3/t12-,14+,15-/m0/s1
InChIKey	KBARKWABOFARGE-CFVMTHIKSA-N
Molecular Weight	298.342 g/mol
SMILES	C1(N([C@]([C@](O1)(C=1C=CC=CC1)[H])(C)[H])C(=O)[C@@](CC#N)(CC=C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.922754