SpectraBase Compound ID | 9h2dBlkXYfQ |
---|---|
InChI | InChI=1S/C13H17BrO/c1-8-5-6-9(2)12-11(8)13(3,4)10(14)7-15-12/h5-6,10H,7H2,1-4H3 |
InChIKey | VACFPPAICQBBDB-UHFFFAOYSA-N |
Mol Weight | 269.18 g/mol |
Molecular Formula | C13H17BrO |
Exact Mass | 268.046278 g/mol |
SpectraBase Spectrum ID | 6ei4pWJAoTe |
---|---|
Name | 3-Bromo-4,4,5,8-tetramethylchromane |
Alternate Name(s) | 2H-1-Benzopyran, 3-bromo-3,4-dihydro-4,4,5,8-tetramethyl- 3-Bromanyl-4,4,5,8-tetramethyl-2,3-dihydrochromene 3-Bromo-4,4,5,8-tetramethyl-2,3-dihydrochromene 3-Bromo-4,4,5,8-tetramethyl-3,4-dihydro-2H-1-benzopyran 3-Bromo-4,4,5,8-tetramethyl-chroman 3-Bromo-4,4,5,8-tetramethyl-chromane |
CAS Registry Number | 68325-05-3 |
Comments | Note: The molecular formula of the structure shown is C13H17BrO - which differs from the formula reported for the mass spectrum (C13H16DBrO) |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H16DBrO |
InChI | InChI=1S/C13H17BrO/c1-8-5-6-9(2)12-11(8)13(3,4)10(14)7-15-12/h5-6,10H,7H2,1-4H3 |
InChIKey | VACFPPAICQBBDB-UHFFFAOYSA-N |
Molecular Weight | 269.182 g/mol |
SMILES | c12c(c(ccc2C)C)OCC(Br)C1(C)C |
SPLASH | splash10-00fr-3940000000-d860cdf8f57c0e5c30cc |
Wiley ID | 1486804 |