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Benzothieno[2,3-f]isobenzofuran-3(1H)-one, 1-methyl-4-pentyl-
SpectraBase Compound ID 6BhyS2VmbAI
InChI InChI=1S/C20H20O2S/c1-3-4-5-9-14-18-15(12(2)22-20(18)21)11-16-13-8-6-7-10-17(13)23-19(14)16/h6-8,10-12H,3-5,9H2,1-2H3
InChIKey CXSDBSGETDXQAG-UHFFFAOYSA-N
Mol Weight 324.44 g/mol
Molecular Formula C20H20O2S
Exact Mass 324.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDyKpfjqQE2
Name Benzothieno[2,3-f]isobenzofuran-3(1H)-one, 1-methyl-4-pentyl-
Alternate Name(s) 1-Methyl-4-pentyl[1]benzothieno[2,3-f][2]benzofuran-3(1H)-one 4-Methyl-1-pentylfuro[3,4-b]dibenzothiophen-3-one
CAS Registry Number 128405-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O2S
InChI InChI=1S/C20H20O2S/c1-3-4-5-9-14-18-15(12(2)22-20(18)21)11-16-13-8-6-7-10-17(13)23-19(14)16/h6-8,10-12H,3-5,9H2,1-2H3
InChIKey CXSDBSGETDXQAG-UHFFFAOYSA-N
Molecular Weight 324.438 g/mol
SMILES c12c(cc3c(C(OC3C)=O)c1CCCCC)c1ccccc1s2
SPLASH splash10-01e9-0095000000-d7ccae08db90e019cc2e
Source of Spectrum KC-1990-686-14
Wiley ID 1323410