| SpectraBase Spectrum ID |
FTxDXLOGeYS |
| Name |
2,4-Diromo-trans-3-(3,4-dichlorophenyl)-6-dimethoxyindan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.858111024 u |
| Formula |
C16H12Br2Cl2O2 |
| InChI |
InChI=1S/C16H12Br2Cl2O2/c1-22-8-5-9-14(10(17)6-8)13(15(18)16(9)21)7-2-3-11(19)12(20)4-7/h2-6,13,15-16,21H,1H3/t13-,15?,16?/m0/s1 |
| InChIKey |
VZJCNSZZJMZWNY-JEYLPNPQSA-N |
| Molecular Weight |
466.984 g/mol |
| SMILES |
C=12[C@@](C(Br)C(C2=CC(=CC1Br)OC)O)(C=1C=C(Cl)C(=CC1)Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866438 |
