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3-Phenylpropionic acid, oct-3-en-2-yl ester

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3-Phenylpropionic acid, oct-3-en-2-yl ester
SpectraBase Compound ID 9BtaPFJvpVd
InChI InChI=1S/C17H24O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6-12,15H,3-5,13-14H2,1-2H3/b10-7+
InChIKey MAKKQAYXFZLERU-JXMROGBWSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7D5bUvli3F8
Name 3-Phenylpropionic acid, oct-3-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6-12,15H,3-5,13-14H2,1-2H3/b10-7+
InChIKey MAKKQAYXFZLERU-JXMROGBWSA-N
Molecular Weight 260.377 g/mol
SMILES C1=CC=CC(=C1)CCC(OC(C)\C=C\CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977219