CAS Registry Number: 19833-96-6

Name:

Benzeneacetic acid, α-​cyclopentyl-​α-​hydroxy-​, methyl ester
Mandelic acid, α-​cyclopentyl-​, methyl ester (8CI); Methyl (±)​-​cyclopentylmandelate; Methyl 2-​Cyclopentyl-​2-​hydroxy-​2-​phenylacetate; Methyl cyclopentylphenylgly​colate; Methyl α-​cyclopentylmandelate; NSC 93811 

Deleted CAS Registry Numbers: 64471-​42-​7

Chemical Formula: C14H18O3
Exact Mass: 234.13
Molecular Weight: 234.29
m/z: 234.13 (100.0%), 235.13 (15.5%), 236.13 (1.7%)
Elemental Analysis: C, 71.77; H, 7.74; O, 20.49

InChI: InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3
InChIKey: FGMUSNHTKNGVQD-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O

Specification

98%

(1) Broadbent, H. Smith; Journal of Heterocyclic Chemistry 1976, V13(2), P337-48 CAPLUS
(2) Waugh, Thomas D.; US 3381017 A 1968 CAPLUS
(3) Ji, F.; Journal of Pharmacy and Pharmacology 2005, V57(11), P1427-1435 CAPLUS