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1H-Benzimidazole-2-pentanoic acid, 3a,4,7,7a-tetrahydro-, methyl ester, cis-
SpectraBase Compound ID 13xsaDADo4M
InChI InChI=1S/C13H20N2O2/c1-17-13(16)9-5-4-8-12-14-10-6-2-3-7-11(10)15-12/h2-3,10-11H,4-9H2,1H3,(H,14,15)/t10-,11+
InChIKey GNDLWQMSMQXITI-PHIMTYICSA-N
Mol Weight 236.31 g/mol
Molecular Formula C13H20N2O2
Exact Mass 236.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SAH2zTiTbr
Name 1H-Benzimidazole-2-pentanoic acid, 3a,4,7,7a-tetrahydro-, methyl ester, cis-
CAS Registry Number 129884-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2O2
InChI InChI=1S/C13H20N2O2/c1-17-13(16)9-5-4-8-12-14-10-6-2-3-7-11(10)15-12/h2-3,10-11H,4-9H2,1H3,(H,14,15)/t10-,11+
InChIKey GNDLWQMSMQXITI-PHIMTYICSA-N
Molecular Weight 236.315 g/mol
SMILES N1[C@@]2([C@](N=C1CCCCC(=O)OC)(CC=CC2)[H])[H]
SPLASH splash10-001j-9310000000-e8c6f3b02cd26b1de59b
Source of Spectrum KC-1990-382-25
Synonyms 2-(4-Methoxycarbonylbrtyl)-3a,4,7,7a-tetrahydro-1H-benz-imidazole Methyl 5-[(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-benzimidazol-2-yl]pentanoate
Wiley ID 1238181