SpectraBase Spectrum ID |
HiNsFvZi08m |
Name |
3-[(Z)-2-Phenylethenyl]-3,4-dihydro-1H-2-benzopyran-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.099379689 u |
Formula |
C17H14O2 |
InChI |
InChI=1S/C17H14O2/c18-17-16-9-5-4-8-14(16)12-15(19-17)11-10-13-6-2-1-3-7-13/h1-11,15H,12H2/b11-10- |
InChIKey |
HSAHMKMXDFLDBH-KHPPLWFESA-N |
Molecular Weight |
250.297 g/mol |
SMILES |
C1(OC(\C=C/C=2C=CC=CC2)CC=2C1=CC=CC2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898889 |