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4-(Hex-1-yn-6-yl)-7-methyl-1-phenylsulfonylpyrano[3,4-b]pyrrol-5(1H)-one
SpectraBase Compound ID 3EQA8Z5hG71
InChI InChI=1S/C20H19NO4S/c1-3-4-5-9-12-18-17-13-14-21(19(17)15(2)25-20(18)22)26(23,24)16-10-7-6-8-11-16/h1,6-8,10-11,13-14H,4-5,9,12H2,2H3
InChIKey GNNIKLBLEFPJGW-UHFFFAOYSA-N
Mol Weight 369.44 g/mol
Molecular Formula C20H19NO4S
Exact Mass 369.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SGcucurMFP
Name 4-(Hex-1-yn-6-yl)-7-methyl-1-phenylsulfonylpyrano[3,4-b]pyrrol-5(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO4S
InChI InChI=1S/C20H19NO4S/c1-3-4-5-9-12-18-17-13-14-21(19(17)15(2)25-20(18)22)26(23,24)16-10-7-6-8-11-16/h1,6-8,10-11,13-14H,4-5,9,12H2,2H3
InChIKey GNNIKLBLEFPJGW-UHFFFAOYSA-N
Molecular Weight 369.435 g/mol
SMILES c1(S(N2C=3C(=C(CCCCC#C)C(OC3C)=O)C=C2)(=O)=O)ccccc1
SPLASH splash10-054o-9711000000-bc50d2be021bf437cb8d
Source of Spectrum F-48-7464-22
Synonyms 4-(5-hexynyl)-7-methyl-1-(phenylsulfonyl)pyrano[3,4-b]pyrrol-5(1H)-one
Wiley ID 1353615