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Methyl (1S,2S)-2-(1-phenylethyl)cyclohex-3-enecarboxylate
SpectraBase Compound ID KwpG1tS0TyY
InChI InChI=1S/C16H20O2/c1-12(13-8-4-3-5-9-13)14-10-6-7-11-15(14)16(17)18-2/h3-6,8-10,12,14-15H,7,11H2,1-2H3/t12?,14-,15-/m0/s1
InChIKey OPCISIUAGNNBSR-ZRNAQANOSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yx37K5cj4g
Name Methyl (1S,2S)-2-(1-phenylethyl)cyclohex-3-enecarboxylate
Appearance Colorless liquid
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Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-12(13-8-4-3-5-9-13)14-10-6-7-11-15(14)16(17)18-2/h3-6,8-10,12,14-15H,7,11H2,1-2H3/t12?,14-,15-/m0/s1
InChIKey OPCISIUAGNNBSR-ZRNAQANOSA-N
Instrument Name Agilent 6890N-5975
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.72
Molecular Weight 244.334 g/mol
Reported Formula C16H20O2
SMILES C1C[C@@]([C@@](C=C1)(C(c1ccccc1)C)[H])(C(=O)OC)[H]
SPLASH splash10-0a4i-2900000000-72a76b4905d8e31f9f0f
Source of Spectrum BJO-8-SM11-5i
Wiley ID 1867421