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6-Heptenoic acid, 5-(bromomethyl)-2,6-dimethyl-, methyl ester, [R-(R*,S*)]-
SpectraBase Compound ID kg2XK4Quar
InChI InChI=1S/C11H19BrO2/c1-4-5-10(8-12)7-6-9(2)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m0/s1
InChIKey IAUQRFYWORJBRC-VHSXEESVSA-N
Mol Weight 263.17 g/mol
Molecular Formula C11H19BrO2
Exact Mass 262.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClxHcw8IR3H
Name 6-Heptenoic acid, 5-(bromomethyl)-2,6-dimethyl-, methyl ester, [R-(R*,S*)]-
Alternate Name(s) (+)-(2S,5S) Methyl 6-bromo-2-methyl-5-(2-propenyl)hexanoate Methyl (2S,5S)-5-(bromomethyl)-2-methyl-7-octenoate
CAS Registry Number 119614-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19BrO2
InChI InChI=1S/C11H19BrO2/c1-4-5-10(8-12)7-6-9(2)11(13)14-3/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m0/s1
InChIKey IAUQRFYWORJBRC-VHSXEESVSA-N
Molecular Weight 263.175 g/mol
SMILES C(=O)([C@](CC[C@@](CC=C)(CBr)[H])(C)[H])OC
SPLASH splash10-007o-9800000000-6309e2d88ba698a6b2c3
Source of Spectrum F-44-478-7
Wiley ID 1265346