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6-Bromo-3-butyl-7-hydroxy-4-methylcoumarin, butyrate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

6-Bromo-3-butyl-7-hydroxy-4-methylcoumarin, butyrate
SpectraBase Compound ID Ds0UOxgJlEH
InChI InChI=1S/C18H21BrO4/c1-4-6-8-12-11(3)13-9-14(19)16(22-17(20)7-5-2)10-15(13)23-18(12)21/h9-10H,4-8H2,1-3H3
InChIKey HUOHFEBBUJOZTI-UHFFFAOYSA-N
Mol Weight 381.27 g/mol
Molecular Formula C18H21BrO4
Exact Mass 380.062322 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DJ4u92yPJqK
Name 6-BROMO-3-BUTYL-7-HYDROXY-4-METHYLCOUMARIN, BUTYRATE
Source of Sample A. CASCAVAL, POLYTECHNIC INSTITUTE OF IASSY, IASI, ROMANIA
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21BrO4
InChI InChI=1S/C18H21BrO4/c1-4-6-8-12-11(3)13-9-14(19)16(22-17(20)7-5-2)10-15(13)23-18(12)21/h9-10H,4-8H2,1-3H3
InChIKey HUOHFEBBUJOZTI-UHFFFAOYSA-N
Melting Point 94-95C
Molecular Weight 381.272003
Synonyms COUMARIN, 6-BROMO-3-BUTYL- 7-HYDROXY-4-METHYL-, BUTYRATE
Technique KBr WAFER