![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/2jvx4dbvKy/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")
| SpectraBase Compound ID | 3Sbc9MDu7Dp |
|---|---|
| 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 |
| Mol Weight | 403.27 g/mol |
| Molecular Formula | C20H19BrO4 |
| Exact Mass | 402.046672 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2jvx4dbvKy |
|---|---|
| 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- |
| CAS Registry Number | 78076-87-6 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | c12c(c3C=CC(Oc3c3c2OC(=CC3=O)C)(C)C)OC(C(=C1)Br)(C)C |
| SPLASH | splash10-0f79-0009400000-292798b1e0188bb368aa |
| Source of Spectrum | K-114-770-0 |
| Synonyms | 2H,8H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-8-one, 3-bromo-2,2,6,10,10-pentamethyl- 7-Bromo-2,2,6,6,10-pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one 7-Bromo-2,2,6,6,10-pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one 7-Bromo-2,2,6,6,10-pentamethyl-2H,6H,12H-dipyrano[2,3-f:2,3-h]chromen-12-one |
| Wiley ID | 1370249 |