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Benzyl (2S,3S)-2,3-dimethylpent-4-enoate
SpectraBase Compound ID 5Pxx0JwbxTS
InChI InChI=1S/C14H18O2/c1-4-11(2)12(3)14(15)16-10-13-8-6-5-7-9-13/h4-9,11-12H,1,10H2,2-3H3/t11-,12-/m0/s1
InChIKey XQLXBSKXFMOUGB-RYUDHWBXSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9U0O7LHohZm
Name Benzyl (2S,3S)-2,3-dimethylpent-4-enoate
Alternate Name(s) (2S,3S)-benzyl 2,3-dimethylpent-4-enoate (2S,3S)-2,3-dimethyl-4-pentenoic acid (phenylmethyl) ester (phenylmethyl) (2S,3S)-2,3-dimethylpent-4-enoate
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Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-4-11(2)12(3)14(15)16-10-13-8-6-5-7-9-13/h4-9,11-12H,1,10H2,2-3H3/t11-,12-/m0/s1
InChIKey XQLXBSKXFMOUGB-RYUDHWBXSA-N
Literature Reference DOI 10.1002/adsc.201000109
Molecular Weight 218.296 g/mol
SMILES C([C@]([C@](C=C)(C)[H])(C)[H])(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-0d28ffc9b4d2c200a08b
Source of Spectrum ASC-352-1009-16
Wiley ID 1764343