| SpectraBase Spectrum ID |
ERd1WrFeAGs |
| Name |
2H,8H,10H-Benzo[1,2-B:3,4-B':5,6-B'']tripyran-8-one, 3-bromo-2,2,6,10,10-pentamethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.046672088 u |
| Formula |
C20H19BrO4 |
| InChI |
InChI=1S/C20H19BrO4/c1-10-8-13(22)15-17(23-10)12-9-14(21)20(4,5)25-16(12)11-6-7-19(2,3)24-18(11)15/h6-9H,1-5H3 |
| InChIKey |
SWJOAFVJJCIGMQ-UHFFFAOYSA-N |
| Molecular Weight |
403.272 g/mol |
| SMILES |
C12=C(C=3C=CC(OC3C3=C2OC(=CC3=O)C)(C)C)OC(C(=C1)Br)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92675 |
![7-Bromo-2,2,6,6,10-pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one](/api/spectrum/ERd1WrFeAGs/structure.png?h=300&w=458 "7-Bromo-2,2,6,6,10-pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one")
