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 |