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(1R,6S)-6-carbomethoxycyclohex-3-ene-1-carboxylic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

(1R,6S)-6-carbomethoxycyclohex-3-ene-1-carboxylic acid
SpectraBase Compound ID 2MezF0bzkZh
InChI InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChIKey MYYLMIDEMAPSGH-RQJHMYQMSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lh6opc43ONK
Name (1S,2R)-1-Methyl cis-1,2,3,6-tetrahydrophthalate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 367281
CAS Registry Number 88335-93-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChIKey MYYLMIDEMAPSGH-RQJHMYQMSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (1S,2R)-1-Methyl cis-4-cyclohexene-1,2-dicarboxylate (1S,2R)-cis-4-Cyclohexene-1,2-dicarboxylic acid 1-monomethylester
Wiley ID SIAL_13CNMR_007789