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1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, hexadecyl ester

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

1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID eNGGzwRMW4
InChI InChI=1S/C24H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-22(26)24(19-16-17-20-24)25-23(27)28-2/h3-21H2,1-2H3,(H,25,27)
InChIKey STIZNBZPQUDURO-UHFFFAOYSA-N
Mol Weight 411.6 g/mol
Molecular Formula C24H45NO4
Exact Mass 411.334859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AuIgRheUASd
Name 1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.334858929 u
Formula C24H45NO4
InChI InChI=1S/C24H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-22(26)24(19-16-17-20-24)25-23(27)28-2/h3-21H2,1-2H3,(H,25,27)
InChIKey STIZNBZPQUDURO-UHFFFAOYSA-N
Molecular Weight 411.627 g/mol
SMILES COC(NC1(C(OCCCCCCCCCCCCCCCC)=O)CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931883