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1-[3-nitro-4-(phenylsulfonyl)phenyl]adamantane
SpectraBase Compound ID 9YplvfcGktA
InChI InChI=1S/C22H23NO4S/c24-23(25)20-11-18(22-12-15-8-16(13-22)10-17(9-15)14-22)6-7-21(20)28(26,27)19-4-2-1-3-5-19/h1-7,11,15-17H,8-10,12-14H2
InChIKey GIZDWWUFANSDRL-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C22H23NO4S
Exact Mass 397.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOKCEEeBriv
Name 1-[3-nitro-4-(phenylsulfonyl)phenyl]adamantane
Alternate Name(s) 1-[4-(benzenesulfonyl)-3-nitrophenyl]adamantane 1-[4-(benzenesulfonyl)-3-nitro-phenyl]adamantane
CAS Registry Number 71466-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO4S
InChI InChI=1S/C22H23NO4S/c24-23(25)20-11-18(22-12-15-8-16(13-22)10-17(9-15)14-22)6-7-21(20)28(26,27)19-4-2-1-3-5-19/h1-7,11,15-17H,8-10,12-14H2
InChIKey GIZDWWUFANSDRL-UHFFFAOYSA-N
Molecular Weight 397.489 g/mol
SMILES c1(S(=O)(=O)c2ccccc2)c(N(=O)=O)cc(C23CC4CC(C3)CC(C2)C4)cc1
SPLASH splash10-0ufr-2309000000-f10c17b3471bed5d3ef8
Source of Spectrum KC-1979-472-0
Wiley ID 1367970