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3-Methyl-2-butenoic Acid, (1R,2S)-2-Chloro-1,2-Diphenylethyl Ester
SpectraBase Compound ID CmYeRwuvavu
InChI InChI=1S/C19H19ClO2/c1-14(2)13-17(21)22-19(16-11-7-4-8-12-16)18(20)15-9-5-3-6-10-15/h3-13,18-19H,1-2H3/t18-,19+/m0/s1
InChIKey WBEMJQHHEQRBNC-RBUKOAKNSA-N
Mol Weight 314.81 g/mol
Molecular Formula C19H19ClO2
Exact Mass 314.107358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMY0XTRmGil
Name 3-Methyl-2-butenoic Acid, (1R,2S)-2-Chloro-1,2-Diphenylethyl Ester
Alternate Name(s) (1R,2S)-2-chloro-1,2-diphenylethyl 3-methyl-2-butenoate 3-methylbut-2-enoic acid[(1R,2S)-2-chloro-1,2-diphenyl-ethyl]ester [(1R,2S)-2-chloranyl-1,2-diphenyl-ethyl]3-methylbut-2-enoate [(1R,2S)-2-chloro-1,2-diphenyl-ethyl]3-methylbut-2-enoate 3-methyl-2-butenoic acid [(1R,2S)-2-chloro-1,2-diphenylethyl] ester [(1R,2S)-2-chloro-1,2-diphenylethyl] 3-methylbut-2-enoate [(1R,2S)-2-chloro-1,2-diphenyl-ethyl] 3-methylbut-2-enoate [(1R,2S)-2-chloranyl-1,2-diphenyl-ethyl] 3-methylbut-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H19ClO2
InChI InChI=1S/C19H19ClO2/c1-14(2)13-17(21)22-19(16-11-7-4-8-12-16)18(20)15-9-5-3-6-10-15/h3-13,18-19H,1-2H3/t18-,19+/m0/s1
InChIKey WBEMJQHHEQRBNC-RBUKOAKNSA-N
Molecular Weight 314.812 g/mol
SMILES [C@]([C@](c1ccccc1)(Cl)[H])(OC(C=C(C)C)=O)(c1ccccc1)[H]
SPLASH splash10-014i-0090000000-ef6e596c5536c4177dc2
Source of Spectrum F-47-4530-5
Wiley ID 1315219