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4-(2',3'-Dibromocyclohexyl)-3-acetoxy-[1]benzopyran-2-one
SpectraBase Compound ID AUor4I0BLhS
InChI InChI=1S/C17H16Br2O4/c1-9(20)22-16-14(11-6-4-7-12(18)15(11)19)10-5-2-3-8-13(10)23-17(16)21/h2-3,5,8,11-12,15H,4,6-7H2,1H3
InChIKey VNJBBTNCWFINHG-UHFFFAOYSA-N
Mol Weight 444.12 g/mol
Molecular Formula C17H16Br2O4
Exact Mass 441.941535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cpgt3J8SMqx
Name 4-(2',3'-Dibromocyclohexyl)-3-acetoxy-[1]benzopyran-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16Br2O4
InChI InChI=1S/C17H16Br2O4/c1-9(20)22-16-14(11-6-4-7-12(18)15(11)19)10-5-2-3-8-13(10)23-17(16)21/h2-3,5,8,11-12,15H,4,6-7H2,1H3
InChIKey VNJBBTNCWFINHG-UHFFFAOYSA-N
Molecular Weight 444.119 g/mol
SMILES C1(=C(C(=O)Oc2c1cccc2)OC(=O)C)C1C(C(Br)CCC1)Br
SPLASH splash10-0006-9024300000-7e76ca8f008ffe28a402
Source of Spectrum SK-20-1258-7
Synonyms 4-(2,3-dibromocyclohexyl)-2-oxo-2H-chromen-3-yl acetate
Wiley ID 1733782