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2,2-(Pentamethylene)-2,3-dihydro-4,5-dioxothiapyrano[2,3-c]-1-benzopyran
SpectraBase Compound ID 2goyToXoaXk
InChI InChI=1S/C17H16O3S/c18-12-10-17(8-4-1-5-9-17)21-15-11-6-2-3-7-13(11)20-16(19)14(12)15/h2-3,6-7H,1,4-5,8-10H2
InChIKey YQMWTMPEXVRCHJ-UHFFFAOYSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 429Iqb2nO5I
Name 2,2-(Pentamethylene)-2,3-dihydro-4,5-dioxothiapyrano[2,3-c]-1-benzopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c18-12-10-17(8-4-1-5-9-17)21-15-11-6-2-3-7-13(11)20-16(19)14(12)15/h2-3,6-7H,1,4-5,8-10H2
InChIKey YQMWTMPEXVRCHJ-UHFFFAOYSA-N
Molecular Weight 300.372 g/mol
SMILES C12=C(c3ccccc3OC2=O)SC2(CC1=O)CCCCC2
SPLASH splash10-0pb9-0194000000-4c4688f6277d38f4aca3
Source of Spectrum SO-0-316-4
Wiley ID 1539180