| SpectraBase Compound ID | J7QwCmqkJuB |
|---|---|
| InChI | InChI=1S/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3 |
| InChIKey | BLZNSXFQRKVFRP-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 90Tn7uCBfdF |
|---|---|
| Name | 1-Bromo-4-methoxy-2-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.983677909 u |
| Formula | C8H9BrO |
| InChI | InChI=1S/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3 |
| InChIKey | BLZNSXFQRKVFRP-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C=1(OC)C=C(C(=CC1)Br)C |
| Spectrum/Structure Validation Score (Raman) | 0.94377 |