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(1R,4S,5R)-4-isopropyl-6-methyl-3-(p-tolylsulfonyl)-3,6-diazabicyclo[3.2.0]heptan-7-one

View entire compound with spectra: 1 MS (GC)

(1R,4S,5R)-4-isopropyl-6-methyl-3-(p-tolylsulfonyl)-3,6-diazabicyclo[3.2.0]heptan-7-one
SpectraBase Compound ID 8iYsobYapv3
InChI InChI=1S/C16H22N2O3S/c1-10(2)14-15-13(16(19)17(15)4)9-18(14)22(20,21)12-7-5-11(3)6-8-12/h5-8,10,13-15H,9H2,1-4H3/t13-,14+,15-/m1/s1
InChIKey JDWNADIVBVCIIN-QLFBSQMISA-N
Mol Weight 322.42 g/mol
Molecular Formula C16H22N2O3S
Exact Mass 322.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CybHAVB5hyG
Name (1R,4S,5R)-4-isopropyl-6-methyl-3-(p-tolylsulfonyl)-3,6-diazabicyclo[3.2.0]heptan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O3S
InChI InChI=1S/C16H22N2O3S/c1-10(2)14-15-13(16(19)17(15)4)9-18(14)22(20,21)12-7-5-11(3)6-8-12/h5-8,10,13-15H,9H2,1-4H3/t13-,14+,15-/m1/s1
InChIKey JDWNADIVBVCIIN-QLFBSQMISA-N
Molecular Weight 322.423 g/mol
SMILES [C@@]12(CN([C@]([C@@]2(N(C1=O)C)[H])(C(C)C)[H])S(=O)(=O)c1ccc(cc1)C)[H]
SPLASH splash10-0a6r-3970000000-80c6f0a6123b1ba30d6d
Source of Spectrum F-68-3278-22
Synonyms (1R,4S,5R)-4-isopropyl-6-methyl-3-tosyl-3,6-diazabicyclo[3.2.0]heptan-7-one (1R,4S,5R)-6-methyl-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-3,6-diazabicyclo[3.2.0]heptan-7-one
Wiley ID 1572330