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3,4-Dipropyl-1H-isothiochromen-1-one
SpectraBase Compound ID FdEkyQy5i1n
InChI InChI=1S/C15H18OS/c1-3-7-12-11-9-5-6-10-13(11)15(16)17-14(12)8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey ZXYFOCOJABOOGW-UHFFFAOYSA-N
Mol Weight 246.37 g/mol
Molecular Formula C15H18OS
Exact Mass 246.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RyTWiVZJfj
Name 3,4-Dipropyl-1H-isothiochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18OS
InChI InChI=1S/C15H18OS/c1-3-7-12-11-9-5-6-10-13(11)15(16)17-14(12)8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey ZXYFOCOJABOOGW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 246.368 g/mol
SMILES c1ccc2C(=C(SC(c2c1)=O)CCC)CCC
SPLASH splash10-000b-0790000000-7eaa58d0be32391559fb
Source of Spectrum A1-13-1912/SMS3-3a
Wiley ID 1752991