For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Cyclopropene-3-carboxylic acid, 1-phenyl-2-ethyl-, propyl ester
SpectraBase Compound ID EA4zKHwKuWa
InChI InChI=1S/C15H18O2/c1-3-10-17-15(16)14-12(4-2)13(14)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3
InChIKey PSPVKHGSMOAIGP-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A6H1ct17hmj
Name 1-Cyclopropene-3-carboxylic acid, 1-phenyl-2-ethyl-, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-3-10-17-15(16)14-12(4-2)13(14)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3
InChIKey PSPVKHGSMOAIGP-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C1=CC(=CC=C1)C1=C(CC)C1C(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913503