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

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

Cyclopropanecarboxylic acid, trans-2-phenyl-, undecyl ester
SpectraBase Compound ID 66592egRZGS
InChI InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-13-16-23-21(22)20-17-19(20)18-14-11-10-12-15-18/h10-12,14-15,19-20H,2-9,13,16-17H2,1H3
InChIKey YIWYPAZHWDXXCJ-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID cO937C275a
Name Cyclopropanecarboxylic acid, trans-2-phenyl-, undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-13-16-23-21(22)20-17-19(20)18-14-11-10-12-15-18/h10-12,14-15,19-20H,2-9,13,16-17H2,1H3
InChIKey YIWYPAZHWDXXCJ-UHFFFAOYSA-N
Molecular Weight 316.485 g/mol
SMILES C1C(C2=CC=CC=C2)C1C(OCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920348