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2-(4-Methoxyphenyl)-5-isopropyl-5,6-dihydro-4H,7H-pyrano[2,3-d][1,3]thiazine-4,7-dione
SpectraBase Compound ID 3mQz7qbgBbJ
InChI InChI=1S/C17H17NO4S/c1-9(2)12-8-13(19)22-15-14(12)17(20)23-16(18-15)10-4-6-11(21-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKey YYWXBYIXPUEHKQ-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C17H17NO4S
Exact Mass 331.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAPByrPtFuk
Name 2-(4-Methoxyphenyl)-5-isopropyl-5,6-dihydro-4H,7H-pyrano[2,3-d][1,3]thiazine-4,7-dione
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.087829201 u
Formula C17H17NO4S
InChI InChI=1S/C17H17NO4S/c1-9(2)12-8-13(19)22-15-14(12)17(20)23-16(18-15)10-4-6-11(21-3)7-5-10/h4-7,9,12H,8H2,1-3H3
InChIKey YYWXBYIXPUEHKQ-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2226
Molecular Weight 331.386 g/mol
Quality 89
SMILES COC1=CC=C(C=C1)C=1SC(C2=C(N1)OC(CC2C(C)C)=O)=O
SPLASH splash10-0f8a-0927000000-05756c6249c16ba64cbc
Source of Spectrum Y-52-1621-5b (DOI: 10.1002/jhet.2226)
Thin-Layer Chromatography 0.38 (acetone/hexane, 1:3)
Wiley ID 1902570