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Spiro[1,3-benzodithiole-2,1'(2'H)-phenanthrene], 3',4',4'a,9',10',10'a-hexahydro-6'-methoxy-4'a-methyl-, trans-
SpectraBase Compound ID 6vaV3lyWbIo
InChI InChI=1S/C22H24OS2/c1-21-12-5-13-22(24-18-6-3-4-7-19(18)25-22)20(21)11-9-15-8-10-16(23-2)14-17(15)21/h3-4,6-8,10,14,20H,5,9,11-13H2,1-2H3
InChIKey UCYBRLGIHIXQRI-UHFFFAOYSA-N
Mol Weight 368.55 g/mol
Molecular Formula C22H24OS2
Exact Mass 368.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bpwB95jQhw
Name Spiro[1,3-benzodithiole-2,1'(2'H)-phenanthrene], 3',4',4'a,9',10',10'a-hexahydro-6'-methoxy-4'a-methyl-, trans-
CAS Registry Number 129150-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24OS2
InChI InChI=1S/C22H24OS2/c1-21-12-5-13-22(24-18-6-3-4-7-19(18)25-22)20(21)11-9-15-8-10-16(23-2)14-17(15)21/h3-4,6-8,10,14,20H,5,9,11-13H2,1-2H3
InChIKey UCYBRLGIHIXQRI-UHFFFAOYSA-N
Molecular Weight 368.553 g/mol
SMILES C12(Sc3ccccc3S2)C2C(c3cc(OC)ccc3CC2)(C)CCC1
SPLASH splash10-004i-0902000000-1c8d29077f88e5bd678d
Source of Spectrum J-55-5085-19
Synonyms 1,1-(1,2-Benzenediyldithio)-4a-methyl-6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene 6'-methoxy-4'a-methyl-3',4',4'a,9',10',10'a-hexahydro-2'H-spiro[1,3-benzodithiole-2,1'-phenanthrene]
Wiley ID 1353190