| SpectraBase Spectrum ID |
BUnma1bJnQB |
| Name |
6-Benzofuranol, 7-bromo-5-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-4-methoxy-3-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.993570565 u |
| Formula |
C16H22Br2O3 |
| InChI |
InChI=1S/C16H22Br2O3/c1-8(2)10(6-17)5-11-14(19)13(18)16-12(15(11)20-4)9(3)7-21-16/h8-10,19H,5-7H2,1-4H3 |
| InChIKey |
VPBQUASBKSQLKB-UHFFFAOYSA-N |
| Molecular Weight |
422.157 g/mol |
| SMILES |
C=1(C(=C2C(COC2=C(C1O)Br)C)OC)CC(C(C)C)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896035 |
![6-Benzofuranol, 7-bromo-5-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-4-methoxy-3-methyl-](/api/spectrum/BUnma1bJnQB/structure.png?h=300&w=458 "6-Benzofuranol, 7-bromo-5-[2-(bromomethyl)-3-methylbutyl]-2,3-dihydro-4-methoxy-3-methyl-")
