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2-(3,4,5-Trimethoxyphenyl)-4,5-methyl-3,6-dihydro-2H-thiopyran
SpectraBase Compound ID IhJBujLN3jP
InChI InChI=1S/C16H22O3S/c1-10-6-15(20-9-11(10)2)12-7-13(17-3)16(19-5)14(8-12)18-4/h7-8,15H,6,9H2,1-5H3
InChIKey QLAIKFOWTCOURM-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cytqDE6jfT
Name 2-(3,4,5-Trimethoxyphenyl)-4,5-methyl-3,6-dihydro-2H-thiopyran
CAS Registry Number 136912-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-10-6-15(20-9-11(10)2)12-7-13(17-3)16(19-5)14(8-12)18-4/h7-8,15H,6,9H2,1-5H3
InChIKey QLAIKFOWTCOURM-UHFFFAOYSA-N
Molecular Weight 294.409 g/mol
SMILES c1(c(cc(cc1OC)C1SCC(=C(C1)C)C)OC)OC
SPLASH splash10-03di-0190000000-6dc5f4f458dba56f06ad
Source of Spectrum J-56-7325-9
Synonyms 4,5-Dimethyl-2-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-thiopyran
Wiley ID 1297105