| SpectraBase Compound ID | LTrpgghuMix |
|---|---|
| InChI | InChI=1S/C9H6BrIO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6H/b6-5+ |
| InChIKey | MROONAJIKFWLHM-AATRIKPKSA-N |
| Mol Weight | 336.95 g/mol |
| Molecular Formula | C9H6BrIO |
| Exact Mass | 335.864673 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2MWRm4cu3CQ |
|---|---|
| Name | Acrylophenone, 4'-bromo-3-iodo-, trans-, |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.864672812 u |
| Formula | C9H6BrIO |
| InChI | InChI=1S/C9H6BrIO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6H/b6-5+ |
| InChIKey | MROONAJIKFWLHM-AATRIKPKSA-N |
| Molecular Weight | 336.954 g/mol |
| SMILES | C=1C=C(Br)C=CC1C(=O)\C=C\I |
| Spectrum/Structure Validation Score (Raman) | 0.862208 |