Hydrocinnamic acid

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Systematic / IUPAC Name: 3-Phenylpropanoic acid

ID: Reference1300

Other Names: Dihydrocinnamate;
β-Phenylpropionicacid;
3-Phenyl-n-propionate ;
Benzylaceticacid;
Phenylpropanoate

Formula: C9H10O2

Class: Personal Care Products/Cosmetics Excipients/Additives/Colorants

Spectral Data

Hydrocinnamic 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 Elite
No. of Spectral Trees 1
No. of Spectra 94
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 7:45:25 AM
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Identificators

InChI InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key XMIIGOLPHOKFCH-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CCC(=O)O
CAS
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Other Names Dihydrocinnamate;
β-Phenylpropionicacid;
3-Phenyl-n-propionate ;
Benzylaceticacid;
Phenylpropanoate

In Other Databases

ChEMBL CHEMBL851
ChEBI CHEBI:28631
HMDb HMDB00764
ChemSpider 10181339
KEGG C05629
PubChem 107
Wikipedia Phenylpropanoic acid