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1,4-Epoxyanthracene, 1,2,3,4-tetrahydro-5-methoxy-3-methylene-2-[[(4-nitrophenyl)thio]methylene]-, (Z)-(.+-.)-
SpectraBase Compound ID 6ICQ78KlesK
InChI InChI=1S/C23H17NO4S/c1-13-18(12-29-21-9-4-3-7-19(21)24(25)26)23-16-10-14-6-5-8-20(27-2)15(14)11-17(16)22(13)28-23/h3-12,22-23H,1H2,2H3/b18-12-
InChIKey VPAKRZWFRUPJFP-PDGQHHTCSA-N
Mol Weight 403.45 g/mol
Molecular Formula C23H17NO4S
Exact Mass 403.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTS8Y3Xcmch
Name 1,4-Epoxyanthracene, 1,2,3,4-tetrahydro-5-methoxy-3-methylene-2-[[(4-nitrophenyl)thio]methylene]-, (Z)-(.+-.)-
CAS Registry Number 98192-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17NO4S
InChI InChI=1S/C23H17NO4S/c1-13-18(12-29-21-9-4-3-7-19(21)24(25)26)23-16-10-14-6-5-8-20(27-2)15(14)11-17(16)22(13)28-23/h3-12,22-23H,1H2,2H3/b18-12-
InChIKey VPAKRZWFRUPJFP-PDGQHHTCSA-N
Molecular Weight 403.452 g/mol
SMILES C12\C(C(C(c3cc4c(cccc4cc23)OC)O1)=C)=C/Sc1c(N(=O)=O)cccc1
SPLASH splash10-0fr2-0090100000-908dfe44d8ecccad1d5f
Source of Spectrum H-68-1074-15
Synonyms (13Z)-5-methoxy-14-methylene-13-{[(2-nitrophenyl)sulfanyl]methylene}-15-oxatetracyclo[10.2.1.0(2,11).0(4,9)]pentadeca-2(11),3,5,7,9-pentaene 1,4-Epoxy-1,2,3,4-tetrahydro-5-methoxy-3-methylidene-2-[(Z)-(2-nitrophenyl)sulfenylmethylidene]anthracene Methyl (13Z)-14-methylene-13-{[(2-nitrophenyl)sulfanyl]methylene}-15-oxatetracyclo[10.2.1.0(2,11).0(4,9)]pentadeca-2(11),3,5,7,9-pentaen-5-yl ether
Wiley ID 1370893