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3-(Piperidin-1'-yl)-6-(phenethyl)-1,1,8-trioxo-1H-1-.lambda(6).-pyrano[3,4-e]-(1,4,3)-oxathiazine
SpectraBase Compound ID 22f9a0aZudI
InChI InChI=1S/C19H20N2O5S/c22-18-17-16(13-15(25-18)10-9-14-7-3-1-4-8-14)26-19(20-27(17,23)24)21-11-5-2-6-12-21/h1,3-4,7-8,13H,2,5-6,9-12H2
InChIKey KVNXHIUWZAOITN-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C19H20N2O5S
Exact Mass 388.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErIz0sBeGiA
Name 3-(Piperidin-1'-yl)-6-(phenethyl)-1,1,8-trioxo-1H-1-.lambda(6).-pyrano[3,4-e]-(1,4,3)-oxathiazine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O5S
InChI InChI=1S/C19H20N2O5S/c22-18-17-16(13-15(25-18)10-9-14-7-3-1-4-8-14)26-19(20-27(17,23)24)21-11-5-2-6-12-21/h1,3-4,7-8,13H,2,5-6,9-12H2
InChIKey KVNXHIUWZAOITN-UHFFFAOYSA-N
Molecular Weight 388.438 g/mol
SMILES C1(=NS(C2=C(O1)C=C(OC2=O)CCc1ccccc1)(=O)=O)N1CCCCC1
SPLASH splash10-000f-9006000000-61a8c35a045348d09b80
Source of Spectrum B-60-117-3
Synonyms 6-(2-phenylethyl)-3-(1-piperidinyl)-8H-pyrano[3,4-e][1,4,3]oxathiazin-8-one 1,1-dioxide
Wiley ID 1583729