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5-(Methoxycarbonyl)-4-(benzo[1,3]dioxol-5-yl)thiophene-2-carboxylic acid
SpectraBase Compound ID LU7vFKy8j3b
InChI InChI=1S/C14H10O6S/c1-18-14(17)12-8(5-11(21-12)13(15)16)7-2-3-9-10(4-7)20-6-19-9/h2-5H,6H2,1H3,(H,15,16)
InChIKey FIRKCJGTXIHHNR-UHFFFAOYSA-N
Mol Weight 306.29 g/mol
Molecular Formula C14H10O6S
Exact Mass 306.019809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fZaFqOpwuZ
Name 5-(Methoxycarbonyl)-4-(benzo[1,3]dioxol-5-yl)thiophene-2-carboxylic acid
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)-5-(methoxycarbonyl)-2-thiophenecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10O6S
InChI InChI=1S/C14H10O6S/c1-18-14(17)12-8(5-11(21-12)13(15)16)7-2-3-9-10(4-7)20-6-19-9/h2-5H,6H2,1H3,(H,15,16)
InChIKey FIRKCJGTXIHHNR-UHFFFAOYSA-N
Molecular Weight 306.288 g/mol
SMILES OC(c1sc(c(c1)-c1cc2OCOc2cc1)C(=O)OC)=O
SPLASH splash10-0a4i-0029000000-f3714a1d5415396fb0bc
Source of Spectrum H-80-537-11
Wiley ID 1307763