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.alpha.-Benzylsuccinic acid
SpectraBase Compound ID 7xUUZTiWbQx
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)
InChIKey GTOFKXZQQDSVFH-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzZ6PeYNd32
Name .alpha.-Benzylsuccinic acid
CAS Registry Number 884-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
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)
InChIKey GTOFKXZQQDSVFH-UHFFFAOYSA-N
Molecular Weight 208.213 g/mol
SMILES OC(C(CC(=O)O)Cc1ccccc1)=O
SPLASH splash10-014m-9600000000-5b42cd273e96db3f4a05
Source of Spectrum NP-18-339-0
Synonyms 2-(Phenylmethyl)butanedioic acid Benzenebutanoic acid, .beta.-carboxy- 2-Benzylbutanedioic acid 2-Benzylsuccinic acid
Wiley ID 1104045