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4-(p-Methoxyphenyl)-5,6-dihydrobenzo[h]thiochroman-2,3-dicarboxylic anhydride
SpectraBase Compound ID BnQhi7Xj2dc
InChI InChI=1S/C22H18O4S/c1-25-14-9-6-13(7-10-14)17-16-11-8-12-4-2-3-5-15(12)19(16)27-20-18(17)21(23)26-22(20)24/h2-7,9-10,17-18,20H,8,11H2,1H3
InChIKey QVADRIOAMMAOET-UHFFFAOYSA-N
Mol Weight 378.44 g/mol
Molecular Formula C22H18O4S
Exact Mass 378.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7EBxJaj35p
Name 4-(p-Methoxyphenyl)-5,6-dihydrobenzo[h]thiochroman-2,3-dicarboxylic anhydride
Alternate Name(s) 7-(4-methoxyphenyl)-5,7,7a,10a-tetrahydro-6H-naphtho[2',1':5,6]thiino[2,3-c]furan-8,10-dione
CAS Registry Number 71436-17-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O4S
InChI InChI=1S/C22H18O4S/c1-25-14-9-6-13(7-10-14)17-16-11-8-12-4-2-3-5-15(12)19(16)27-20-18(17)21(23)26-22(20)24/h2-7,9-10,17-18,20H,8,11H2,1H3
InChIKey QVADRIOAMMAOET-UHFFFAOYSA-N
Molecular Weight 378.442 g/mol
SMILES C12C(SC3=C(C2c2ccc(cc2)OC)CCc2ccccc32)C(=O)OC1=O
SPLASH splash10-004i-0094000000-b4956344fe67c15daf6b
Source of Spectrum J-44-4155-0
Wiley ID 1358820