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(2R,3S,3aS)-3-methylsulfonyloxy-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 3fFG4TjgEVn
InChI InChI=1S/C22H26N2O5S/c1-22(2,3)28-21(25)24-19(15-10-6-5-7-11-15)20(29-30(4,26)27)18-14-16-12-8-9-13-17(16)23(18)24/h5-13,18-20H,14H2,1-4H3/t18-,19+,20-/m0/s1
InChIKey DTIZQVRQBKWIPM-ZCNNSNEGSA-N
Mol Weight 430.52 g/mol
Molecular Formula C22H26N2O5S
Exact Mass 430.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2obHQTtSJbt
Name (2R,3S,3aS)-3-methylsulfonyloxy-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylic acid tert-butyl ester
Alternate Name(s) (2R,3S,3aS)-3-methylsulfonyloxy-2-phenyl-2,3,3a,4-tetrahydropyrazol[1,5-a]indole-1-carboxylic acid tert-butyl ester tert-Butyl (2R,3S,3aS)-3-methylsulfonyloxy-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O5S
InChI InChI=1S/C22H26N2O5S/c1-22(2,3)28-21(25)24-19(15-10-6-5-7-11-15)20(29-30(4,26)27)18-14-16-12-8-9-13-17(16)23(18)24/h5-13,18-20H,14H2,1-4H3/t18-,19+,20-/m0/s1
InChIKey DTIZQVRQBKWIPM-ZCNNSNEGSA-N
Molecular Weight 430.519 g/mol
SMILES [C@@]12(N(N([C@@]([C@]2(OS(=O)(=O)C)[H])(c2ccccc2)[H])C(OC(C)(C)C)=O)c2c(C1)cccc2)[H]
SPLASH splash10-053r-9686100000-04c3326fac6a8f94372f
Source of Spectrum KC-0-1873-6
Wiley ID 781504