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Benzoic acid, 4-bromo-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester, (R)-
SpectraBase Compound ID VxGDjXxEzH
InChI InChI=1S/C17H21BrO2/c1-5-17(4,12-6-7-13(2)3)20-16(19)14-8-10-15(18)11-9-14/h5,7-11H,1,6,12H2,2-4H3
InChIKey QOWMAWPIXGHVPO-UHFFFAOYSA-N
Mol Weight 337.26 g/mol
Molecular Formula C17H21BrO2
Exact Mass 336.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTOY80VkTyV
Name Benzoic acid, 4-bromo-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester, (R)-
Alternate Name(s) 1,5-Dimethyl-1-vinyl-4-hexenyl 4-bromobenzoate 3,7-Dimethyl-1,6-octadien-3-yl p-bromobenzoate
CAS Registry Number 86160-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21BrO2
InChI InChI=1S/C17H21BrO2/c1-5-17(4,12-6-7-13(2)3)20-16(19)14-8-10-15(18)11-9-14/h5,7-11H,1,6,12H2,2-4H3
InChIKey QOWMAWPIXGHVPO-UHFFFAOYSA-N
Molecular Weight 337.257 g/mol
SMILES C(OC(C=C)(CCC=C(C)C)C)(c1ccc(cc1)Br)=O
SPLASH splash10-0019-0900000000-f399964cc29900937b81
Source of Spectrum AJ-56-1130-10
Wiley ID 1332245