DL-Benzylsuccinic acid

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Systematic / IUPAC Name: (2S)-2-Benzylbutanedioic acid

ID: Reference13693

Other Names: (S)-2-Benzylsuccinic acid

Formula: C11H12O4

Class: Endogenous Metabolites

Spectral Data

DL-Benzylsuccinic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 1609
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/2/2026 10:33:07 AM
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Identificators

InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1
InChI Key GTOFKXZQQDSVFH-VIFPVBQESA-N
Canonical SMILES O=C(O)C[C@H](Cc1ccccc1)C(=O)O
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Other Names (S)-2-Benzylsuccinic acid

In Other Databases

HMDb HMDB0012127
PubChem 446168
ChEMBL CHEMBL1741738
ChemSpider 393600