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Acenaphthylene, 1,2-dihydro-1,1-dimethyl-2-[(4-methylphenyl)thio]-6-nitro-
SpectraBase Compound ID 6S74sm9Wkd4
InChI InChI=1S/C21H19NO2S/c1-13-7-9-14(10-8-13)25-20-16-6-4-5-15-18(22(23)24)12-11-17(19(15)16)21(20,2)3/h4-12,20H,1-3H3
InChIKey DNCCSZFRZBPDRJ-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C21H19NO2S
Exact Mass 349.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iXnfNIe6gp
Name Acenaphthylene, 1,2-dihydro-1,1-dimethyl-2-[(4-methylphenyl)thio]-6-nitro-
CAS Registry Number 112083-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO2S
InChI InChI=1S/C21H19NO2S/c1-13-7-9-14(10-8-13)25-20-16-6-4-5-15-18(22(23)24)12-11-17(19(15)16)21(20,2)3/h4-12,20H,1-3H3
InChIKey DNCCSZFRZBPDRJ-UHFFFAOYSA-N
Molecular Weight 349.448 g/mol
SMILES c12c3C(C)(C)C(c2cccc1c(N(=O)=O)cc3)Sc1ccc(cc1)C
SPLASH splash10-004i-2490000000-26f410e26338d7f5ada4
Source of Spectrum B-40-535-28
Synonyms 1,1-Dimethyl-2-[(4-methylphenyl)sulfanyl]-6-nitro-1,2-dihydroacenaphthylene 2,2-Dimethyl-5-nitro-1,2-dihydro-1-acenaphthylenyl 4-methylphenyl sulfide 2,2-Dimethyl-5-nitroacenaphthen-1-yl p-tolyl sulfide
Wiley ID 1341437