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N-(((1R*,2S*,5R*)-2,5-Dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID IecRyPmSEpA
InChI InChI=1S/C17H21NO4S/c1-12-4-6-13(7-5-12)23(20,21)18-11-17(3)14(19)10-16(2)9-8-15(17)22-16/h4-9,15,18H,10-11H2,1-3H3/t15-,16+,17-/m1/s1
InChIKey LJCMDXOYAAQYAA-IXDOHACOSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DexbzAaeyj
Name N-(((1R*,2S*,5R*)-2,5-Dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-(((1R,2S,5R)-2,5-dimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)methyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-12-4-6-13(7-5-12)23(20,21)18-11-17(3)14(19)10-16(2)9-8-15(17)22-16/h4-9,15,18H,10-11H2,1-3H3/t15-,16+,17-/m1/s1
InChIKey LJCMDXOYAAQYAA-IXDOHACOSA-N
Literature Reference DOI 10.1039/c3cc48266a
Molecular Weight 335.418 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C[C@]1([C@@]2(O[C@@](C=C2)(CC1=O)C)[H])C
SPLASH splash10-0a5c-4900000000-ff6073244e8b349d825c
Source of Spectrum KD-50-1738/SMS46-alpha_4kf
Wiley ID 1754307