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4-Methyl-N-(((1S*,2S*,5S*)-2-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)benzenesulfonamide
SpectraBase Compound ID DvqqgfxtppT
InChI InChI=1S/C16H19NO4S/c1-11-3-6-13(7-4-11)22(19,20)17-10-16(2)14(18)9-12-5-8-15(16)21-12/h3-8,12,15,17H,9-10H2,1-2H3/t12-,15+,16-/m1/s1
InChIKey LGJGUUKIJUKIKV-UHOFOFEASA-N
Mol Weight 321.39 g/mol
Molecular Formula C16H19NO4S
Exact Mass 321.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZvrVIMUQKG
Name 4-Methyl-N-(((1S*,2S*,5S*)-2-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-11-3-6-13(7-4-11)22(19,20)17-10-16(2)14(18)9-12-5-8-15(16)21-12/h3-8,12,15,17H,9-10H2,1-2H3/t12-,15+,16-/m1/s1
InChIKey LGJGUUKIJUKIKV-UHOFOFEASA-N
Literature Reference DOI 10.1039/c3cc48266a
Molecular Weight 321.391 g/mol
SMILES N(C[C@]1(C)C(C[C@@]2(O[C@]1(C=C2)[H])[H])=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4l-4900000000-f7b64f4e3b420fbff944
Source of Spectrum KD-50-1738/SMS44-beta_4ka
Synonyms 4-Methyl-N-(((1S,2S,5S)-2-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)benzenesulfonamide
Wiley ID 1754317