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3-(Bromomethyl)-4,5-dimethoxy-6-methyl-1H-indenone
SpectraBase Compound ID IaDfDNkMkjB
InChI InChI=1S/C13H13BrO3/c1-7-4-9-10(15)5-8(6-14)11(9)13(17-3)12(7)16-2/h4-5H,6H2,1-3H3
InChIKey QBGVJAOOQJHLBB-UHFFFAOYSA-N
Mol Weight 297.15 g/mol
Molecular Formula C13H13BrO3
Exact Mass 296.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbZQJW6Bm9S
Name 3-(Bromomethyl)-4,5-dimethoxy-6-methyl-1H-indenone
CAS Registry Number 77028-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrO3
InChI InChI=1S/C13H13BrO3/c1-7-4-9-10(15)5-8(6-14)11(9)13(17-3)12(7)16-2/h4-5H,6H2,1-3H3
InChIKey QBGVJAOOQJHLBB-UHFFFAOYSA-N
Molecular Weight 297.148 g/mol
SMILES c12c(C(=O)C=C2CBr)cc(c(c1OC)OC)C
SPLASH splash10-0gdj-1790000000-35ca166a3aa7240cd1f7
Source of Spectrum J-46-2392-0
Synonyms 3-(bromomethyl)-4,5-dimethoxy-6-methyl-1H-inden-1-one
Wiley ID 1298690