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Hexanedioic acid, 2-(phenylmethyl)-
SpectraBase Compound ID BJiKKysGFP3
InChI InChI=1S/C13H16O4/c14-12(15)8-4-7-11(13(16)17)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)(H,16,17)
InChIKey CZICSOZHJCBPNW-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICjmQuPF5z0
Name Hexanedioic acid, 2-(phenylmethyl)-
Alternate Name(s) 2-(Phenylmethyl)hexanedioic acid 2-Benzyladipic acid 2-Benzylhexanedioic acid
CAS Registry Number 22935-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c14-12(15)8-4-7-11(13(16)17)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)(H,16,17)
InChIKey CZICSOZHJCBPNW-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CCCC(C(=O)O)Cc1ccccc1)=O
SPLASH splash10-0006-9600000000-2869086bd33fb6c3e96a
Source of Spectrum AH-120-620-30
Wiley ID 1238104