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Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, pentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, pentyl ester
SpectraBase Compound ID HKkoEFWOegJ
InChI InChI=1S/C18H31NO4/c1-3-5-10-14-22-17(20)16(15-11-8-7-9-12-15)19-18(21)23-13-6-4-2/h4,15-16H,2-3,5-14H2,1H3,(H,19,21)
InChIKey HYVXPBQSMBFXMV-UHFFFAOYSA-N
Mol Weight 325.45 g/mol
Molecular Formula C18H31NO4
Exact Mass 325.225308 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HKPGapqw7HV
Name Glycine, 2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.225308478 u
Formula C18H31NO4
InChI InChI=1S/C18H31NO4/c1-3-5-10-14-22-17(20)16(15-11-8-7-9-12-15)19-18(21)23-13-6-4-2/h4,15-16H,2-3,5-14H2,1H3,(H,19,21)
InChIKey HYVXPBQSMBFXMV-UHFFFAOYSA-N
Molecular Weight 325.449 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCC=C)C(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830091