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1,3-Dithiane, 2-[(3,4-dimethyl-1-nitro-3-cyclohexen-1-yl)methyl]-2-phenyl-
SpectraBase Compound ID LXWbMrwBdd2
InChI InChI=1S/C19H25NO2S2/c1-15-9-10-18(20(21)22,13-16(15)2)14-19(23-11-6-12-24-19)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3
InChIKey SKOBITCIDJFRFW-UHFFFAOYSA-N
Mol Weight 363.53 g/mol
Molecular Formula C19H25NO2S2
Exact Mass 363.132671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvKI9DIx9sz
Name 1,3-Dithiane, 2-[(3,4-dimethyl-1-nitro-3-cyclohexen-1-yl)methyl]-2-phenyl-
CAS Registry Number 90059-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO2S2
InChI InChI=1S/C19H25NO2S2/c1-15-9-10-18(20(21)22,13-16(15)2)14-19(23-11-6-12-24-19)17-7-4-3-5-8-17/h3-5,7-8H,6,9-14H2,1-2H3
InChIKey SKOBITCIDJFRFW-UHFFFAOYSA-N
Molecular Weight 363.534 g/mol
SMILES C1(N(=O)=O)(CC2(SCCCS2)c2ccccc2)CC(C)=C(CC1)C
SPLASH splash10-0a4i-1910000000-655ea91e7e7f99cbc091
Source of Spectrum H-67-280-0
Synonyms 2-(3',4'-Dimethyl-1'-nitro-3'-cyclohexenyl)methyl-2-phenyl-1,3-dithiane 2-[(3,4-dimethyl-1-nitro-3-cyclohexen-1-yl)methyl]-2-phenyl-1,3-dithiane
Wiley ID 1350200