(1S,4R,5R)-4-Bromo-1,5-dimethyl-7-(2-methoxyphenyl)bicyclo[3.2.1]oct-6-en-2-one

SpectraBase Compound ID	CeKhbT5w6SJ
InChI	InChI=1S/C17H19BrO2/c1-16-9-12(11-6-4-5-7-13(11)20-3)17(2,10-16)15(19)8-14(16)18/h4-7,9,14H,8,10H2,1-3H3/t14-,16+,17+/m1/s1
InChIKey	AZSLMOJQVQTMQD-PVAVHDDUSA-N Google Search
Mol Weight	335.24 g/mol
Molecular Formula	C17H19BrO2
Exact Mass	334.056843 g/mol

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SpectraBase Spectrum ID	6D4BYmYpZ4u
Name	(1S,4R,5R)-4-Bromo-1,5-dimethyl-7-(2-methoxyphenyl)bicyclo[3.2.1]oct-6-en-2-one
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	334.056842850 u
Formula	C17H19BrO2
InChI	InChI=1S/C17H19BrO2/c1-16-9-12(11-6-4-5-7-13(11)20-3)17(2,10-16)15(19)8-14(16)18/h4-7,9,14H,8,10H2,1-3H3/t14-,16+,17+/m1/s1
InChIKey	AZSLMOJQVQTMQD-PVAVHDDUSA-N
Molecular Weight	335.241 g/mol
SMILES	C=1([C@]2(C(C[C@]([C@](C1)(C)C2)(Br)[H])=O)C)C=1C(OC)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.933317