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Acenaphthylene, 1,2-dihydro-1,1-dimethyl-2-[(4-methylphenyl)sulfonyl]-6-nitro-
SpectraBase Compound ID J7eXZirKmZx
InChI InChI=1S/C21H19NO4S/c1-13-7-4-5-10-18(13)27(25,26)20-15-9-6-8-14-17(22(23)24)12-11-16(19(14)15)21(20,2)3/h4-12,20H,1-3H3
InChIKey MNRZNCFRBHOKOE-UHFFFAOYSA-N
Mol Weight 381.45 g/mol
Molecular Formula C21H19NO4S
Exact Mass 381.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yaZwuUvbel
Name Acenaphthylene, 1,2-dihydro-1,1-dimethyl-2-[(4-methylphenyl)sulfonyl]-6-nitro-
Alternate Name(s) 1,1-Dimethyl-2-[(2-methylphenyl)sulfonyl]-6-nitro-1,2-dihydroacenaphthylene 2,2-Dimethyl-5-nitro-1,2-dihydro-1-acenaphthylenyl 2-methylphenyl sulfone 2,2-Dimethyl-5-nitroacenaphthen-1-yl tolyl sulfone
CAS Registry Number 112083-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO4S
InChI InChI=1S/C21H19NO4S/c1-13-7-4-5-10-18(13)27(25,26)20-15-9-6-8-14-17(22(23)24)12-11-16(19(14)15)21(20,2)3/h4-12,20H,1-3H3
InChIKey MNRZNCFRBHOKOE-UHFFFAOYSA-N
Molecular Weight 381.446 g/mol
SMILES C1(S(c2c(C)cccc2)(=O)=O)C(c2ccc(N(=O)=O)c3c2c1ccc3)(C)C
SPLASH splash10-004i-0290000000-2f40df4b763faa559555
Source of Spectrum B-40-535-0
Wiley ID 1360170