| SpectraBase Spectrum ID |
Cvav2aM4znu |
| Name |
1,2-Epoxy-1-(4'-methoxymethyl)-5'-phenyl-2'-oxazolin-2'-yl)-2-(p-bromophenyl)ethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.047006441 u |
| Formula |
C19H18BrNO3 |
| InChI |
InChI=1S/C19H18BrNO3/c1-22-11-15-16(12-5-3-2-4-6-12)24-19(21-15)18-17(23-18)13-7-9-14(20)10-8-13/h2-10,15-18H,11H2,1H3/t15-,16-,17-,18-/m0/s1 |
| InChIKey |
DTXVRIYUGPLZRV-XSLAGTTESA-N |
| Molecular Weight |
388.261 g/mol |
| SMILES |
[C@@]1(C2=N[C@@](COC)([C@@](O2)(C=2C=CC=CC2)[H])[H])(O[C@]1(C1=CC=C(C=C1)Br)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867243 |
