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N-[1-(1-adamantyl)propyl]-4-chloranyl-3-nitro-benzenesulfonamide
SpectraBase Compound ID FM7mlEmWIE0
InChI InChI=1S/C19H25ClN2O4S/c1-2-18(19-9-12-5-13(10-19)7-14(6-12)11-19)21-27(25,26)15-3-4-16(20)17(8-15)22(23)24/h3-4,8,12-14,18,21H,2,5-7,9-11H2,1H3
InChIKey ODSYFWGBTKBMKT-UHFFFAOYSA-N
Mol Weight 412.93 g/mol
Molecular Formula C19H25ClN2O4S
Exact Mass 412.122356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZuPC5hNGPH
Name N-[1-(1-adamantyl)propyl]-4-chloranyl-3-nitro-benzenesulfonamide
Alternate Name(s) N-[1-(1-adamantyl)propyl]-4-chloro-3-nitro-benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25ClN2O4S
InChI InChI=1S/C19H25ClN2O4S/c1-2-18(19-9-12-5-13(10-19)7-14(6-12)11-19)21-27(25,26)15-3-4-16(20)17(8-15)22(23)24/h3-4,8,12-14,18,21H,2,5-7,9-11H2,1H3
InChIKey ODSYFWGBTKBMKT-UHFFFAOYSA-N
Molecular Weight 412.932 g/mol
SMILES N(S(c1cc(N(=O)=O)c(cc1)Cl)(=O)=O)C(C12CC3CC(C2)CC(C1)C3)CC
SPLASH splash10-000i-6910000000-4fe94e2598df0e514fe8
Wiley ID 1465115