| SpectraBase Spectrum ID |
CQcB0YWMMAk |
| Name |
3-Bromo-2,4-bis(methoxy)-2-(4'-methoxyphenyl)chromane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.046672088 u |
| Formula |
C18H19BrO4 |
| InChI |
InChI=1S/C18H19BrO4/c1-20-13-10-8-12(9-11-13)18(22-3)17(19)16(21-2)14-6-4-5-7-15(14)23-18/h4-11,16-17H,1-3H3/t16-,17-,18-/m0/s1 |
| InChIKey |
ISSNDTPUORPDPL-BZSNNMDCSA-N |
| Molecular Weight |
379.250 g/mol |
| SMILES |
[C@]1([C@]([C@@](OC)(C2=C(O1)C=CC=C2)[H])(Br)[H])(C=1C=CC(=CC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862505 |
