3-Phenoxypropionic acid

Systematic / IUPAC Name: 3-Phenoxypropanoic acid

ID: Reference218

Other Names: Phenoxypropionic acid;
β-Phenoxypropionic acid;
Propanoic acid, 3-phenoxy-;
3-Phenoxypropionate;
β-Phenoxypropionate

Formula: C9H10O3

Spectral Data

3-Phenoxypropionic 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 120
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2014 9:26:25 AM
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Identificators

InChI InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key BUSOTUQRURCMCM-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)OCCC(=O)O
CAS 7170389
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Other Names Phenoxypropionic acid;
β-Phenoxypropionic acid;
Propanoic acid, 3-phenoxy-;
3-Phenoxypropionate;
β-Phenoxypropionate

In Other Databases

PubChem 81596
ChemSpider 73626
HMDb HMDB02229
ChemIDPlus 007170389