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1-(1-Adamantyl)-4-isopropylsulphonyl-3,5-dinitrobenzene
SpectraBase Compound ID EXLbIEC4YyF
InChI InChI=1S/C19H24N2O6S/c1-11(2)28(26,27)18-16(20(22)23)6-15(7-17(18)21(24)25)19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14H,3-5,8-10H2,1-2H3
InChIKey FOWLBDGIGTUBIU-UHFFFAOYSA-N
Mol Weight 408.47 g/mol
Molecular Formula C19H24N2O6S
Exact Mass 408.135508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBZneVbI7Lr
Name 1-(1-Adamantyl)-4-isopropylsulphonyl-3,5-dinitrobenzene
CAS Registry Number 71466-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24N2O6S
InChI InChI=1S/C19H24N2O6S/c1-11(2)28(26,27)18-16(20(22)23)6-15(7-17(18)21(24)25)19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14H,3-5,8-10H2,1-2H3
InChIKey FOWLBDGIGTUBIU-UHFFFAOYSA-N
Molecular Weight 408.469 g/mol
SMILES c1(c(N(=O)=O)cc(C23CC4CC(C3)CC(C2)C4)cc1N(=O)=O)S(=O)(=O)C(C)C
SPLASH splash10-014r-8329000000-967f081832323f6930ce
Source of Spectrum KC-1979-472-0
Synonyms 1-[4-(isopropylsulfonyl)-3,5-dinitrophenyl]adamantane 4-(1-adamantyl)-2,6-dinitrophenyl isopropyl sulfone Tricyclo[3.3.1.1(3,7)]decane, 1-[4-[(1-methylethyl)sulfonyl]-3,5-dinitrophenyl]- 1-(3,5-dinitro-4-propan-2-ylsulfonylphenyl)adamantane 1-(3,5-dinitro-4-propan-2-ylsulfonyl-phenyl)adamantane
Wiley ID 1372809