| SpectraBase Spectrum ID |
DvgQo5stqnD |
| Name |
Trans-3-phenyl-4-isopropyl-3,4-dihydrocoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.130679818 u |
| Formula |
C18H18O2 |
| InChI |
InChI=1S/C18H18O2/c1-12(2)16-14-10-6-7-11-15(14)20-18(19)17(16)13-8-4-3-5-9-13/h3-12,16-17H,1-2H3/t16-,17+/m0/s1 |
| InChIKey |
MNWXOAGWPHKKTF-DLBZAZTESA-N |
| Molecular Weight |
266.340 g/mol |
| SMILES |
C1(OC2=CC=CC=C2[C@@]([C@]1(C1=CC=CC=C1)[H])(C(C)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882697 |
