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3,5'-Dimethyl-6-methoxy-8-nitro-spiro(2H-benzo(b)pyran-2:2'-1',3'-benzodithiolane)
SpectraBase Compound ID 9T8qeOKKuKs
InChI InChI=1S/C18H15NO4S2/c1-10-4-5-15-16(6-10)25-18(24-15)11(2)7-12-8-13(22-3)9-14(19(20)21)17(12)23-18/h4-9H,1-3H3
InChIKey LTKXMRSAJPQWRU-UHFFFAOYSA-N
Mol Weight 373.44 g/mol
Molecular Formula C18H15NO4S2
Exact Mass 373.04425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11etzt7AIa
Name 3,5'-Dimethyl-6-methoxy-8-nitro-spiro(2H-benzo(b)pyran-2:2'-1',3'-benzodithiolane)
CAS Registry Number 59198-90-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4S2
InChI InChI=1S/C18H15NO4S2/c1-10-4-5-15-16(6-10)25-18(24-15)11(2)7-12-8-13(22-3)9-14(19(20)21)17(12)23-18/h4-9H,1-3H3
InChIKey LTKXMRSAJPQWRU-UHFFFAOYSA-N
Molecular Weight 373.441 g/mol
SMILES Cc1ccc2c(c1)SC1(C(C)=Cc3cc(cc(c3O1)N(=O)=O)OC)S2
SPLASH splash10-0axr-1859000000-0e506ad44e13ee5809da
Source of Spectrum O-12-608-1
Synonyms 6'-methoxy-3',5-dimethyl-8'-nitro-spiro[1,3-benzodithiole-2,2'-chromene] 6'-methoxy-3',5-dimethyl-8'-nitrospiro[1,3-benzodithiole-2,2'-1-benzopyran]
Wiley ID 1356026