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4-Methyl-N-((1R,4s,7S)-4-methyl-8-oxabicyclo[5.1.0]octan-4-yl)benzenesulfonamide
SpectraBase Compound ID C8ETRCWmurz
InChI InChI=1S/C15H21NO3S/c1-11-3-5-12(6-4-11)20(17,18)16-15(2)9-7-13-14(19-13)8-10-15/h3-6,13-14,16H,7-10H2,1-2H3/t13-,14+,15-
InChIKey MDPGHOBICDPGOH-QDMKHBRRSA-N
Mol Weight 295.4 g/mol
Molecular Formula C15H21NO3S
Exact Mass 295.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzQHRYv0oml
Name 4-Methyl-N-((1R,4s,7S)-4-methyl-8-oxabicyclo[5.1.0]octan-4-yl)benzenesulfonamide
Appearance White solid
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Formula C15H21NO3S
InChI InChI=1S/C15H21NO3S/c1-11-3-5-12(6-4-11)20(17,18)16-15(2)9-7-13-14(19-13)8-10-15/h3-6,13-14,16H,7-10H2,1-2H3/t13-,14+,15-
InChIKey MDPGHOBICDPGOH-QDMKHBRRSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000650
Molecular Weight 295.397 g/mol
Reported Formula C15H21NO3S
SMILES N(S(=O)(=O)c1ccc(cc1)C)[C@]1(CC[C@]2([C@@](CC1)(O2)[H])[H])C
SPLASH splash10-0006-4920000000-cdef30a21f95e6df1e56
Sample Comments mixture of diastereoisomers (trans/cis, 1:1)
Source of Spectrum ACI-59-SM29-1d
Wiley ID 1857734