| SpectraBase Spectrum ID |
77BMSsfz3Do |
| Name |
(1S,2S,3S)-2,3-Epoxy-3-(3-phenoxyphenyl)-1-phenylpropan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.125594437 u |
| Formula |
C21H18O3 |
| InChI |
InChI=1S/C21H18O3/c22-19(15-8-3-1-4-9-15)21-20(24-21)16-10-7-13-18(14-16)23-17-11-5-2-6-12-17/h1-14,19-22H/t19-,20-,21-/m0/s1 |
| InChIKey |
BFCHKBULYNHAMC-ACRUOGEOSA-N |
| Molecular Weight |
318.372 g/mol |
| SMILES |
[C@@]1(O[C@]1(C=1C=C(OC2=CC=CC=C2)C=CC1)[H])([C@](C1=CC=CC=C1)(O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869229 |
