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1.beta.-(p-Toluenesulfonamido)-4.alpha.-chloro-6.alpha.-(benzyloxy)-2-cycloheptene
SpectraBase Compound ID DPFdfyTfjlA
InChI InChI=1S/C21H24ClNO3S/c1-16-7-11-21(12-8-16)27(24,25)23-19-10-9-18(22)13-20(14-19)26-15-17-5-3-2-4-6-17/h2-12,18-20,23H,13-15H2,1H3/t18-,19-,20-/m0/s1
InChIKey QJWUNKHGJWMDBN-UFYCRDLUSA-N
Mol Weight 405.94 g/mol
Molecular Formula C21H24ClNO3S
Exact Mass 405.116543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AlMvS4DieJ
Name 1.beta.-(p-Toluenesulfonamido)-4.alpha.-chloro-6.alpha.-(benzyloxy)-2-cycloheptene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24ClNO3S
InChI InChI=1S/C21H24ClNO3S/c1-16-7-11-21(12-8-16)27(24,25)23-19-10-9-18(22)13-20(14-19)26-15-17-5-3-2-4-6-17/h2-12,18-20,23H,13-15H2,1H3/t18-,19-,20-/m0/s1
InChIKey QJWUNKHGJWMDBN-UFYCRDLUSA-N
Molecular Weight 405.940 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@]1(C=C[C@](Cl)(C[C@@](C1)(OCc1ccccc1)[H])[H])[H]
SPLASH splash10-0006-9300000000-6e5b90884df6beb3a262
Source of Spectrum J-56-2773-11
Synonyms N-[(1R,4R,6R)-6-(benzyloxy)-4-chloro-2-cyclohepten-1-yl]-4-methylbenzenesulfonamide
Wiley ID 1371720