| SpectraBase Spectrum ID |
CbVX4jWhstw |
| Name |
Benzene, (1-chloro-2-iodopropyl)-, (R*,R*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.951573022 u |
| Formula |
C9H10ClI |
| InChI |
InChI=1S/C9H10ClI/c1-7(11)9(10)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1 |
| InChIKey |
MFFNBFRCQUODQI-APPZFPTMSA-N |
| Molecular Weight |
280.536 g/mol |
| SMILES |
[C@](C=1C=CC=CC1)([C@](I)(C)[H])(Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977039 |