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7-(Pent-1-yn-5-yl)-1-phenylsulfonylpyrano[3,4-b]pyrrol-5(1H)-one
SpectraBase Compound ID 496PDkrTkTR
InChI InChI=1S/C18H15NO4S/c1-2-3-5-10-16-18-14(13-17(20)23-16)11-12-19(18)24(21,22)15-8-6-4-7-9-15/h1,4,6-9,11-13H,3,5,10H2
InChIKey TXLWMDMZUXTKEL-UHFFFAOYSA-N
Mol Weight 341.38 g/mol
Molecular Formula C18H15NO4S
Exact Mass 341.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQAFVIqROxv
Name 7-(Pent-1-yn-5-yl)-1-phenylsulfonylpyrano[3,4-b]pyrrol-5(1H)-one
Alternate Name(s) 7-(4-pentynyl)-1-(phenylsulfonyl)pyrano[3,4-b]pyrrol-5(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4S
InChI InChI=1S/C18H15NO4S/c1-2-3-5-10-16-18-14(13-17(20)23-16)11-12-19(18)24(21,22)15-8-6-4-7-9-15/h1,4,6-9,11-13H,3,5,10H2
InChIKey TXLWMDMZUXTKEL-UHFFFAOYSA-N
Molecular Weight 341.381 g/mol
SMILES c1(S(N2C=3C(=CC(OC3CCCC#C)=O)C=C2)(=O)=O)ccccc1
SPLASH splash10-0a4j-2950000000-ac5b860d8b0b9e5d9117
Source of Spectrum F-48-7462-18
Wiley ID 1335845