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1,3-Benzodioxole-2-carboxylic acid, methyl ester

View entire compound with spectra: 3 MS (GC)

1,3-Benzodioxole-2-carboxylic acid, methyl ester
SpectraBase Compound ID CPgBf56sdTI
InChI InChI=1S/C9H8O4/c1-11-8(10)9-12-6-4-2-3-5-7(6)13-9/h2-5,9H,1H3
InChIKey YXXQQTKETXOUEX-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vUvL8Pigi2
Name 1,3-Benzodioxole-2-carboxylic acid, methyl ester
Alternate Name(s) Methyl 1,3-benzodioxole-2-carboxylate 1,3-benzodioxole-2-carboxylic acid methyl ester
CAS Registry Number 57984-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-11-8(10)9-12-6-4-2-3-5-7(6)13-9/h2-5,9H,1H3
InChIKey YXXQQTKETXOUEX-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES C(=O)(C1Oc2c(cccc2)O1)OC
SPLASH splash10-00di-9800000000-33180f646ab20554e579
Wiley ID 1475888