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(3S,4S)-3-methyl-4-[(phenylmethyl)amino]-2-oxolanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3S,4S)-3-methyl-4-[(phenylmethyl)amino]-2-oxolanone
SpectraBase Compound ID Bf392b5M103
InChI InChI=1S/C12H15NO2/c1-9-11(8-15-12(9)14)13-7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+/m0/s1
InChIKey QCFBQMIMLWDAPT-GXSJLCMTSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6Ug2A1tpFsQ
Name (3S,4S)-3-Methyl-4-[(phenylmethyl)amino]-2-oxolanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.110278725 u
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-9-11(8-15-12(9)14)13-7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+/m0/s1
InChIKey QCFBQMIMLWDAPT-GXSJLCMTSA-N
Molecular Weight 205.257 g/mol
SMILES C1([C@]([C@](NCC=2C=CC=CC2)(CO1)[H])(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857064