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(-)-(R)-3-Formyl-3-phenylpropyl Methanesulfonate
SpectraBase Compound ID 4jhFjfwJhjm
InChI InChI=1S/C11H14O4S/c1-16(13,14)15-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t11-/m0/s1
InChIKey HGQHCZATOWTRFL-NSHDSACASA-N
Mol Weight 242.29 g/mol
Molecular Formula C11H14O4S
Exact Mass 242.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2h1UQauoOe
Name (-)-(R)-3-Formyl-3-phenylpropyl Methanesulfonate
Appearance Colorless oil
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Exact Mass 242.061280101 u
Formula C11H14O4S
InChI InChI=1S/C11H14O4S/c1-16(13,14)15-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t11-/m0/s1
InChIKey HGQHCZATOWTRFL-NSHDSACASA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302438k
Molecular Weight 242.289 g/mol
Optical Rotation [a]D20 = -69.6 (c = 1.0, CH2Cl2)
Quality 60
Reported Formula C11H14O4S
SMILES [C@@](CCOS(C)(=O)=O)(C=O)(C1=CC=CC=C1)[H]
SPLASH splash10-0007-2900000000-72f42b2f9740f836b210
Source of Spectrum JOC-78-624-21d (DOI: 10.1021/jo302438k)
Wiley ID 1911687