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

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

Cyclopropanecarboxylic acid, trans-2-phenyl-, pentadecyl ester
SpectraBase Compound ID IE9H3dzm9kl
InChI InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-27-25(26)24-21-23(24)22-18-15-14-16-19-22/h14-16,18-19,23-24H,2-13,17,20-21H2,1H3
InChIKey WXZGLCCTFUNMJJ-UHFFFAOYSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CKKE8Iyjb7V
Name Cyclopropanecarboxylic acid, trans-2-phenyl-, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.302830526 u
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-27-25(26)24-21-23(24)22-18-15-14-16-19-22/h14-16,18-19,23-24H,2-13,17,20-21H2,1H3
InChIKey WXZGLCCTFUNMJJ-UHFFFAOYSA-N
Molecular Weight 372.593 g/mol
SMILES C1C(C2=CC=CC=C2)C1C(OCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93459