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3-Formyl-3,4,5,6-tetrahydro-2,2-dimethyl-4-phenylthio-2H-naphtho[1,2-b]thiopyran
SpectraBase Compound ID 418uiGnnKYJ
InChI InChI=1S/C22H22OS2/c1-22(2)19(14-23)21(24-16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)20(18)25-22/h3-11,14,19,21H,12-13H2,1-2H3
InChIKey VFJAGVKHMHUDFZ-UHFFFAOYSA-N
Mol Weight 366.54 g/mol
Molecular Formula C22H22OS2
Exact Mass 366.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TbZ7TrqXSA
Name 3-Formyl-3,4,5,6-tetrahydro-2,2-dimethyl-4-phenylthio-2H-naphtho[1,2-b]thiopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22OS2
InChI InChI=1S/C22H22OS2/c1-22(2)19(14-23)21(24-16-9-4-3-5-10-16)18-13-12-15-8-6-7-11-17(15)20(18)25-22/h3-11,14,19,21H,12-13H2,1-2H3
InChIKey VFJAGVKHMHUDFZ-UHFFFAOYSA-N
Molecular Weight 366.537 g/mol
SMILES C12=C(C(Sc3ccccc3)C(C(S1)(C)C)C=O)CCc1c2cccc1
SPLASH splash10-06vi-0490000000-a17405d27b1ab7758df9
Source of Spectrum AJ-65-2059-2
Synonyms 2,2-Dimethyl-4-(phenylsulfanyl)-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]thiopyran-3-carbaldehyde
Wiley ID 771479