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

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

Cyclopropanecarboxylic acid, trans-2-phenyl-, hexadecyl ester
SpectraBase Compound ID FMmI6Qt5AX3
InChI InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-26(27)25-22-24(25)23-19-16-15-17-20-23/h15-17,19-20,24-25H,2-14,18,21-22H2,1H3
InChIKey XYYLNWASRLMQKZ-UHFFFAOYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CCegmk3tRE4
Name Cyclopropanecarboxylic acid, trans-2-phenyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.318480590 u
Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-26(27)25-22-24(25)23-19-16-15-17-20-23/h15-17,19-20,24-25H,2-14,18,21-22H2,1H3
InChIKey XYYLNWASRLMQKZ-UHFFFAOYSA-N
Molecular Weight 386.620 g/mol
SMILES C1C(C2=CC=CC=C2)C1C(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932287