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1,4,5,8-Tetrahydro-cis-4a,8a-naphthalenedicarboxylic acid, methyl ester

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

1,4,5,8-Tetrahydro-cis-4a,8a-naphthalenedicarboxylic acid, methyl ester
SpectraBase Compound ID 2GsbXIQsvv3
InChI InChI=1S/C13H16O4/c1-17-11(16)13-8-4-2-6-12(13,10(14)15)7-3-5-9-13/h2-5H,6-9H2,1H3,(H,14,15)/t12-,13+
InChIKey SHLPWOQZBQQDPI-BETUJISGSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JzDeP5Yc34q
Name 1,4,5,8-Tetrahydro-cis-4a,8a-naphthalenedicarboxylic acid, methyl ester
Source of Sample G. Snatzke, Bonn University, Bonn, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-17-11(16)13-8-4-2-6-12(13,10(14)15)7-3-5-9-13/h2-5H,6-9H2,1H3,(H,14,15)/t12-,13+
InChIKey SHLPWOQZBQQDPI-BETUJISGSA-N
Literature Reference Abstract-Chemical Abstracts= 63, 16226(1965)
Melting Point 143-144C
Molecular Weight 236.267000
SMILES OC([C@@]12[C@](C\C=C/C2)(C\C=C/C1)C(=O)OC)=O
Synonyms Naphthalenedicarboxylic acid, 4a,8a-, 1,4,5,8-tetrahydro-, methyl ester, cis-,
Technique KBr WAFER