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3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 5WYyQ40Krov
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
InChIKey LSNUUAUXWJZSFD-UHFFFAOYSA-N
Mol Weight 188.18 g/mol
Molecular Formula C8H12O5
Exact Mass 188.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVsmovTxQiL
Name Shikimic Acid, Methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O5
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
InChIKey LSNUUAUXWJZSFD-UHFFFAOYSA-N
Molecular Weight 188.179 g/mol
SMILES OC1C(O)C(C=C(C1)C(OC)=O)O
SPLASH splash10-0002-9200000000-3770c564d80d6452b130
Source of Spectrum JX-2019-109-0
Synonyms 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, methyl ester, [3R-(3.alpha.,4.alpha.,5.beta.)]- Shikimic acid methyl ester (6CI) Methyl (-)-shikimate Methyl shikimate NSC 280656 Methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate
Wiley ID 1818912