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(-)-(S)-3-Formylheptyl Methanesulfonate
SpectraBase Compound ID 8jiCjk8TLID
InChI InChI=1S/C9H18O4S/c1-3-4-5-9(8-10)6-7-13-14(2,11)12/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKey KTMWOOIVTSSWPU-VIFPVBQESA-N
Mol Weight 222.3 g/mol
Molecular Formula C9H18O4S
Exact Mass 222.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3l0TzrBFPU
Name (-)-(S)-3-Formylheptyl Methanesulfonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.092580230 u
Formula C9H18O4S
InChI InChI=1S/C9H18O4S/c1-3-4-5-9(8-10)6-7-13-14(2,11)12/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKey KTMWOOIVTSSWPU-VIFPVBQESA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302438k
Molecular Weight 222.299 g/mol
Optical Rotation [a]D20 = -6.87 (c = 1.0, CH2Cl2)
Quality 207
Reported Formula C9H18O4S
SMILES [C@@](CCOS(C)(=O)=O)(C=O)(CCCC)[H]
SPLASH splash10-056r-9000000000-480376d7a5d2b454afea
Source of Spectrum JOC-78-624-21a (DOI: 10.1021/jo302438k)
Wiley ID 1911684