| SpectraBase Spectrum ID |
IEeKeNSNNhE |
| Name |
Benzene, 2-bromo-1-(3,3-diethoxypentyl)-3,5-bis(phenylmethoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.171872603 u |
| Formula |
C29H35BrO4 |
| InChI |
InChI=1S/C29H35BrO4/c1-4-29(33-5-2,34-6-3)18-17-25-19-26(31-21-23-13-9-7-10-14-23)20-27(28(25)30)32-22-24-15-11-8-12-16-24/h7-16,19-20H,4-6,17-18,21-22H2,1-3H3 |
| InChIKey |
ZCPUFCNHHAGDSQ-UHFFFAOYSA-N |
| Molecular Weight |
527.499 g/mol |
| SMILES |
C1(=C(C(CCC(OCC)(OCC)CC)=CC(=C1)OCC1=CC=CC=C1)Br)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90242 |
