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3-(1,3-benzodioxol-5-yl)-2-propynoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(1,3-benzodioxol-5-yl)-2-propynoic acid
SpectraBase Compound ID 90guErrUu25
InChI InChI=1S/C10H6O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,6H2,(H,11,12)
InChIKey ONUOFUQDMINWGK-UHFFFAOYSA-N
Mol Weight 190.15 g/mol
Molecular Formula C10H6O4
Exact Mass 190.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9q4pMndqgi1
Name 3-(1,3-benzodioxol-5-yl)prop-2-ynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6O4
InChI InChI=1S/C10H6O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,6H2,(H,11,12)
InChIKey ONUOFUQDMINWGK-UHFFFAOYSA-N
Molecular Weight 190.154 g/mol
SMILES OC(C#Cc1cc2c(OCO2)cc1)=O
SPLASH splash10-0002-6900000000-15b61470bd6233934202
Source of Spectrum IY-1-4277-2
Synonyms 3-(1,3-benzodioxol-5-yl)-2-propynoic acid
Wiley ID 1650764