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9H-Thioxanthenium, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide
SpectraBase Compound ID CLulxtVRFWS
InChI InChI=1S/C18H16O4S/c1-21-14-7-8-16-13(17(14)18(20)22-2)11-12-5-3-4-6-15(12)23(16)10-9-19/h3-10H,11H2,1-2H3
InChIKey IPPTVYLCFZJRNP-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zC4j2p5KfQ
Name 9H-Thioxanthenium, 2-methoxy-1-(methoxycarbonyl)-2-oxoethylide
CAS Registry Number 72447-77-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-21-14-7-8-16-13(17(14)18(20)22-2)11-12-5-3-4-6-15(12)23(16)10-9-19/h3-10H,11H2,1-2H3
InChIKey IPPTVYLCFZJRNP-UHFFFAOYSA-N
Molecular Weight 328.382 g/mol
SMILES c12S(c3c(Cc2c(C(=O)OC)c(cc1)OC)cccc3)=CC=O
SPLASH splash10-0002-0900000000-e64debc4315d3683f256
Source of Spectrum KC-1981-215-0
Synonyms Methyl (5E)-2-methoxy-5-(2-oxoethylidene)-5,10-dihydro-5lambda(4)-dibenzo[b,e]thiopyran-1-carboxylate Thioxanthen-10-io(bis-methoxycarbonyl)methanide
Wiley ID 1326188