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Spiro[1,3-benzodithiole-2,2'-[2H-1]benzopyran], 8'-methoxy-6'-nitro-3'-phenyl-
SpectraBase Compound ID HH3UF9GwZjK
InChI InChI=1S/C22H15NO4S2/c1-26-18-13-16(23(24)25)11-15-12-17(14-7-3-2-4-8-14)22(27-21(15)18)28-19-9-5-6-10-20(19)29-22/h2-13H,1H3
InChIKey IDHAIGZGKRCLLN-UHFFFAOYSA-N
Mol Weight 421.49 g/mol
Molecular Formula C22H15NO4S2
Exact Mass 421.04425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GM6mMCEmi3A
Name Spiro[1,3-benzodithiole-2,2'-[2H-1]benzopyran], 8'-methoxy-6'-nitro-3'-phenyl-
CAS Registry Number 40370-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15NO4S2
InChI InChI=1S/C22H15NO4S2/c1-26-18-13-16(23(24)25)11-15-12-17(14-7-3-2-4-8-14)22(27-21(15)18)28-19-9-5-6-10-20(19)29-22/h2-13H,1H3
InChIKey IDHAIGZGKRCLLN-UHFFFAOYSA-N
Molecular Weight 421.485 g/mol
SMILES C12(Oc3c(cc(N(=O)=O)cc3C=C2c2ccccc2)OC)Sc2ccccc2S1
SPLASH splash10-0gi0-1592100000-85e75035881eaf7d92ec
Source of Spectrum O-12-608-1
Synonyms 8'-methoxy-6'-nitro-3'-phenylspiro[1,3-benzodithiole-2,2'-chromene] Spiro(3-phenyl-6-nitro-8-methoxy-2H-benzo(1)-2,2'-pyran-1',3'-benzodithiolane
Wiley ID 1378297