| SpectraBase Spectrum ID |
DliBu8JYs8M |
| Name |
1-Methyl-9-(2'-bromoallyloxy)naphtho[2,1-B]pyran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.004807276 u |
| Formula |
C17H13BrO3 |
| InChI |
InChI=1S/C17H13BrO3/c1-10-7-16(19)21-15-6-4-12-3-5-13(20-9-11(2)18)8-14(12)17(10)15/h3-8H,2,9H2,1H3 |
| InChIKey |
PPUZAXQBPVNKOX-UHFFFAOYSA-N |
| Molecular Weight |
345.192 g/mol |
| SMILES |
C=1(C=2C(=CC=C3C2C=C(OCC(=C)Br)C=C3)OC(C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891216 |
![1-Methyl-9-(2'-bromoallyloxy)naphtho[2,1-b]pyran-3-one](/api/spectrum/DliBu8JYs8M/structure.png?h=300&w=458 "1-Methyl-9-(2'-bromoallyloxy)naphtho[2,1-b]pyran-3-one")
