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3-Phenyl-6-nitro-8-methoxy-5'-methylspiro(2H-benzo(b)pyran-2:2'-1',3'-benzodithiolane)
SpectraBase Compound ID 1RXwg8egdlD
InChI InChI=1S/C23H17NO4S2/c1-14-8-9-20-21(10-14)30-23(29-20)18(15-6-4-3-5-7-15)12-16-11-17(24(25)26)13-19(27-2)22(16)28-23/h3-13H,1-2H3
InChIKey YVILFUAOFDTLML-UHFFFAOYSA-N
Mol Weight 435.51 g/mol
Molecular Formula C23H17NO4S2
Exact Mass 435.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF1sQ3OglWm
Name 3-Phenyl-6-nitro-8-methoxy-5'-methylspiro(2H-benzo(b)pyran-2:2'-1',3'-benzodithiolane)
CAS Registry Number 55859-66-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17NO4S2
InChI InChI=1S/C23H17NO4S2/c1-14-8-9-20-21(10-14)30-23(29-20)18(15-6-4-3-5-7-15)12-16-11-17(24(25)26)13-19(27-2)22(16)28-23/h3-13H,1-2H3
InChIKey YVILFUAOFDTLML-UHFFFAOYSA-N
Molecular Weight 435.512 g/mol
SMILES Cc1ccc2c(c1)SC1(C(=Cc3cc(cc(c3O1)OC)N(=O)=O)c1ccccc1)S2
SPLASH splash10-0gi0-0492300000-f26d302e4760ced9e153
Source of Spectrum O-12-608-1
Synonyms 8'-methoxy-5-methyl-6'-nitro-3'-phenyl-spiro[1,3-benzodithiole-2,2'-chromene] 8'-methoxy-5-methyl-6'-nitro-3'-phenylspiro[1,3-benzodithiole-2,2'-1-benzopyran]
Wiley ID 1383236