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1-(1-Adamantyl)-4-isopropylsulphonyl-3-nitrobenzene
SpectraBase Compound ID LtRCACAo8Im
InChI InChI=1S/C19H25NO4S/c1-12(2)25(23,24)18-4-3-16(8-17(18)20(21)22)19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,12-15H,5-7,9-11H2,1-2H3
InChIKey SXVLCKSXWWXCDO-UHFFFAOYSA-N
Mol Weight 363.47 g/mol
Molecular Formula C19H25NO4S
Exact Mass 363.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COkitfehUA4
Name 1-(1-Adamantyl)-4-isopropylsulphonyl-3-nitrobenzene
CAS Registry Number 71466-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4S
InChI InChI=1S/C19H25NO4S/c1-12(2)25(23,24)18-4-3-16(8-17(18)20(21)22)19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,12-15H,5-7,9-11H2,1-2H3
InChIKey SXVLCKSXWWXCDO-UHFFFAOYSA-N
Molecular Weight 363.472 g/mol
SMILES c1(S(=O)(=O)C(C)C)c(N(=O)=O)cc(C23CC4CC(C3)CC(C2)C4)cc1
SPLASH splash10-0fdo-7198000000-2ac2f0a8cf4a2a11df40
Source of Spectrum KC-1979-472-0
Synonyms 1-[4-(isopropylsulfonyl)-3-nitrophenyl]adamantane 4-(1-adamantyl)-2-nitrophenyl isopropyl sulfone Tricyclo[3.3.1.1(3,7)]decane, 1-[4-[(1-methylethyl)sulfonyl]-3-nitrophenyl]- 1-(3-nitro-4-propan-2-ylsulfonylphenyl)adamantane 1-(3-nitro-4-propan-2-ylsulfonyl-phenyl)adamantane
Wiley ID 1350201