SpectraBase Compound ID | BmbQw8aYyZZ |
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InChI | InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) |
InChIKey | KMQLIDDEQAJAGJ-UHFFFAOYSA-N |
Mol Weight | 178.19 g/mol |
Molecular Formula | C10H10O3 |
Exact Mass | 178.062994 g/mol |
SpectraBase Spectrum ID | BwraddIdRjF |
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Name | Benzenebutanoic acid, .gamma.-oxo- |
CAS Registry Number | 2051-95-8 |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C10H10O3 |
InChI | InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13) |
InChIKey | KMQLIDDEQAJAGJ-UHFFFAOYSA-N |
Instrument Name | Varian HA-100 |
NMR Standard | TMS |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | CDCl3/DMSO-D6 |