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(1R,5R)1-p-Benzoyloxy-5-methyl-3-vinylcyclohex-2-ene
SpectraBase Compound ID IDOsgImzEnu
InChI InChI=1S/C16H17BrO2/c1-3-12-8-11(2)9-15(10-12)19-16(18)13-4-6-14(17)7-5-13/h3-7,10-11,15H,1,8-9H2,2H3/t11-,15-/m1/s1
InChIKey UTPAZCQIOYBWFB-IAQYHMDHSA-N
Mol Weight 321.21 g/mol
Molecular Formula C16H17BrO2
Exact Mass 320.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmksxPUFcna
Name (1R,5R)1-p-Benzoyloxy-5-methyl-3-vinylcyclohex-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO2
InChI InChI=1S/C16H17BrO2/c1-3-12-8-11(2)9-15(10-12)19-16(18)13-4-6-14(17)7-5-13/h3-7,10-11,15H,1,8-9H2,2H3/t11-,15-/m1/s1
InChIKey UTPAZCQIOYBWFB-IAQYHMDHSA-N
Molecular Weight 321.214 g/mol
SMILES C(O[C@]1(C=C(C=C)C[C@](C1)(C)[H])[H])(c1ccc(cc1)Br)=O
SPLASH splash10-05fr-0905000000-d66befb2c8649aefc91d
Source of Spectrum E1-44-668-4
Synonyms 4-Bromobenzoic acid [(1R,5R)-3-ethenyl-5-methyl-1-cyclohex-2-enyl] ester [(1R,5R)-3-ethenyl-5-methylcyclohex-2-en-1-yl] 4-bromobenzoate [(1R,5R)-5-methyl-3-vinyl-cyclohex-2-en-1-yl] 4-bromobenzoate [(1R,5R)-3-ethenyl-5-methyl-cyclohex-2-en-1-yl] 4-bromanylbenzoate
Wiley ID 1553389