| SpectraBase Spectrum ID |
B1iEY48XRuB |
| Name |
(syn)-2-(4',4'-Dimethyl-2'-oxazolin-2'-yl)-2,3-epoxy-1-(p-tolyl)-3,3-diphenyl-1-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.199093730 u |
| Formula |
C27H27NO3 |
| InChI |
InChI=1S/C27H27NO3/c1-19-14-16-20(17-15-19)23(29)27(24-28-25(2,3)18-30-24)26(31-27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,23,29H,18H2,1-3H3 |
| InChIKey |
JENKRKYKJUPQIZ-UHFFFAOYSA-N |
| Molecular Weight |
413.517 g/mol |
| SMILES |
C1(C(C=2C=CC=CC2)(C2=CC=CC=C2)O1)(C1=NC(C)(C)CO1)C(C=1C=CC(=CC1)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946654 |
