| SpectraBase Spectrum ID |
BkBCNaOewcC |
| Name |
(Anti)-2-(4',4'-dimethyl-2'-oxazolin-2'-yl)-2,3-epoxy-1,3,3-triphenyl-1-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.183443666 u |
| Formula |
C26H25NO3 |
| InChI |
InChI=1S/C26H25NO3/c1-24(2)18-29-23(27-24)26(22(28)19-12-6-3-7-13-19)25(30-26,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,28H,18H2,1-2H3 |
| InChIKey |
ONEBLZBGHDTMLH-UHFFFAOYSA-N |
| Molecular Weight |
399.490 g/mol |
| SMILES |
C1(C(C=2C=CC=CC2)(C=2C=CC=CC2)O1)(C1=NC(C)(C)CO1)C(C=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909025 |
