| SpectraBase Spectrum ID |
6LeaByXRSyw |
| Name |
Trans-3-phenyl-4-ethyl-3,4-dihydrocoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.115029753 u |
| Formula |
C17H16O2 |
| InChI |
InChI=1S/C17H16O2/c1-2-13-14-10-6-7-11-15(14)19-17(18)16(13)12-8-4-3-5-9-12/h3-11,13,16H,2H2,1H3/t13-,16+/m0/s1 |
| InChIKey |
JFUSXQHRNWSJOV-XJKSGUPXSA-N |
| Molecular Weight |
252.313 g/mol |
| SMILES |
C1(OC2=CC=CC=C2[C@@]([C@]1(C1=CC=CC=C1)[H])(CC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929103 |
