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Methyl N-(1-cyclohexenoyl)-N'-alaninoylprolinate

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

Methyl N-(1-cyclohexenoyl)-N'-alaninoylprolinate
SpectraBase Compound ID kMrIhLDwiU
InChI InChI=1S/C16H24N2O4/c1-11(17-14(19)12-7-4-3-5-8-12)15(20)18-10-6-9-13(18)16(21)22-2/h7,11,13H,3-6,8-10H2,1-2H3,(H,17,19)/t11-,13-/m1/s1
InChIKey WSVSDLKCRWRFGA-DGCLKSJQSA-N
Mol Weight 308.38 g/mol
Molecular Formula C16H24N2O4
Exact Mass 308.173607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNeztmS5E5V
Name Methyl N-(1-cyclohexenoyl)-N'-alaninoylprolinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.173607257 u
Formula C16H24N2O4
InChI InChI=1S/C16H24N2O4/c1-11(17-14(19)12-7-4-3-5-8-12)15(20)18-10-6-9-13(18)16(21)22-2/h7,11,13H,3-6,8-10H2,1-2H3,(H,17,19)/t11-,13-/m1/s1
InChIKey WSVSDLKCRWRFGA-DGCLKSJQSA-N
Molecular Weight 308.378 g/mol
SMILES C(N1[C@@](C(=O)OC)(CCC1)[H])([C@](NC(C1=CCCCC1)=O)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829587