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N-Sulfinyl-1,3-bis(ethoxycarbonyl)-6-azulenylamine
SpectraBase Compound ID 4T3hFwtVj57
InChI InChI=1S/C16H15NO5S/c1-3-21-15(18)13-9-14(16(19)22-4-2)12-8-6-10(17-23-20)5-7-11(12)13/h5-9H,3-4H2,1-2H3
InChIKey LHHAYPXPMPFQLQ-UHFFFAOYSA-N
Mol Weight 333.36 g/mol
Molecular Formula C16H15NO5S
Exact Mass 333.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Xw0fP3Ehyj
Name N-Sulfinyl-1,3-bis(ethoxycarbonyl)-6-azulenylamine
Comments Less than 3 mono-isotopic peaks
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Formula C16H15NO5S
InChI InChI=1S/C16H15NO5S/c1-3-21-15(18)13-9-14(16(19)22-4-2)12-8-6-10(17-23-20)5-7-11(12)13/h5-9H,3-4H2,1-2H3
InChIKey LHHAYPXPMPFQLQ-UHFFFAOYSA-N
Molecular Weight 333.358 g/mol
SMILES c12c(c(C(=O)OCC)cc2C(=O)OCC)ccc(cc1)N=S=O
SPLASH splash10-001i-0039000000-2715605fb007714c05f1
Source of Spectrum F-59-4656-2
Synonyms diethyl 6-(sulfinylamino)azulene-1,3-dicarboxylate
Wiley ID 1678164