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1,2-Benzenedicarboxylic acid, mono-2-propynyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

1,2-Benzenedicarboxylic acid, mono-2-propynyl ester
SpectraBase Compound ID KaeEok2ezyQ
InChI InChI=1S/C11H8O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h1,3-6H,7H2,(H,12,13)
InChIKey BEWCAUPONZLPFD-UHFFFAOYSA-N
Mol Weight 204.18 g/mol
Molecular Formula C11H8O4
Exact Mass 204.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOGPBTnXjbd
Name 1,2-Benzenedicarboxylic acid, mono-2-propynyl ester; 2-propyn-1-ol, hydrogen phthalate; phthalic acid, mono-2-propynyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.042258734 u
Formula C11H8O4
InChI InChI=1S/C11H8O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h1,3-6H,7H2,(H,12,13)
InChIKey BEWCAUPONZLPFD-UHFFFAOYSA-N
Molecular Weight 204.181 g/mol
SMILES OC(C1=CC=CC=C1C(OCC#C)=O)=O