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1,3-Benzodioxole-4-carboxylic acid, 5-(hydroxymethyl)-, ethyl ester
SpectraBase Compound ID 1wU9s8OdmWs
InChI InChI=1S/C11H12O5/c1-2-14-11(13)9-7(5-12)3-4-8-10(9)16-6-15-8/h3-4,12H,2,5-6H2,1H3
InChIKey LEJOOKIEIFHPLJ-UHFFFAOYSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMmQKVPdjNU
Name 1,3-Benzodioxole-4-carboxylic acid, 5-(hydroxymethyl)-, ethyl ester
Alternate Name(s) 2-(ethoxycarbonyl)-3,4-(methylenedioxy)benzyl alcohol Ethyl 5-(hydroxymethyl)-1,3-benzodioxole-4-carboxylate
CAS Registry Number 75267-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-2-14-11(13)9-7(5-12)3-4-8-10(9)16-6-15-8/h3-4,12H,2,5-6H2,1H3
InChIKey LEJOOKIEIFHPLJ-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES OCc1c(c2c(OCO2)cc1)C(=O)OCC
SPLASH splash10-004i-0910000000-ae10e7e7edf6df38cd65
Source of Spectrum J-45-5071-0
Wiley ID 1224700