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Cyclopentanecarboxylic acid, 3-amino-, methyl ester, (1S,3R)-

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Cyclopentanecarboxylic acid, 3-amino-, methyl ester, (1S,3R)-
SpectraBase Compound ID 7AkCeqlToMB
InChI InChI=1S/C7H13NO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1
InChIKey MLVGJFMHFIQWQZ-NTSWFWBYSA-N
Mol Weight 143.19 g/mol
Molecular Formula C7H13NO2
Exact Mass 143.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IjnaGsjkTyc
Name Cyclopentanecarboxylic acid, 3-amino-, methyl ester, (1S,3R)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 143.094628661 u
Formula C7H13NO2
InChI InChI=1S/C7H13NO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4,8H2,1H3/t5-,6+/m0/s1
InChIKey MLVGJFMHFIQWQZ-NTSWFWBYSA-N
Molecular Weight 143.186 g/mol
SMILES [C@@]1(N)(C[C@](CC1)(C(=O)OC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896045