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Cyclopropanecarboxylic acid, trans-2-phenyl-, dodecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Cyclopropanecarboxylic acid, trans-2-phenyl-, dodecyl ester
SpectraBase Compound ID HaJwwr3nLks
InChI InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h11-13,15-16,20-21H,2-10,14,17-18H2,1H3
InChIKey JZJYVMZMAIRKBY-UHFFFAOYSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Ooceub7SCI
Name Cyclopropanecarboxylic acid, trans-2-phenyl-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.255880333 u
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h11-13,15-16,20-21H,2-10,14,17-18H2,1H3
InChIKey JZJYVMZMAIRKBY-UHFFFAOYSA-N
Molecular Weight 330.512 g/mol
SMILES C1C(C2=CC=CC=C2)C1C(OCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9489