| SpectraBase Compound ID | BwTk4cHzFN9 |
|---|---|
| InChI | InChI=1S/C13H19BrO3/c1-15-11-8-7-10(6-4-5-9-14)12(16-2)13(11)17-3/h7-8H,4-6,9H2,1-3H3 |
| InChIKey | JZDHCMYHCFRIKC-UHFFFAOYSA-N |
| Mol Weight | 303.2 g/mol |
| Molecular Formula | C13H19BrO3 |
| Exact Mass | 302.051757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | h8bldE8RnH |
|---|---|
| Name | Benzene, 1-(4-bromobutyl)-2,3,4-trimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.051757469 u |
| Formula | C13H19BrO3 |
| InChI | InChI=1S/C13H19BrO3/c1-15-11-8-7-10(6-4-5-9-14)12(16-2)13(11)17-3/h7-8H,4-6,9H2,1-3H3 |
| InChIKey | JZDHCMYHCFRIKC-UHFFFAOYSA-N |
| SMILES | C1(=C(C(CCCCBr)=CC=C1OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90262 |