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3a,4-Dihydro-3,3,8-trimethyl-6-phenyl-3H,6H-pyrazolo[4',3':5,6]thiopyrano[4,3-c]isoxazole
SpectraBase Compound ID 3a4SENCFWtD
InChI InChI=1S/C16H17N3OS/c1-10-13-14-12(16(2,3)20-18-14)9-21-15(13)19(17-10)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey ZTJPXWVSEMKPFA-UHFFFAOYSA-N
Mol Weight 299.39 g/mol
Molecular Formula C16H17N3OS
Exact Mass 299.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn240XHtMiD
Name 3a,4-Dihydro-3,3,8-trimethyl-6-phenyl-3H,6H-pyrazolo[4',3':5,6]thiopyrano[4,3-c]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3OS
InChI InChI=1S/C16H17N3OS/c1-10-13-14-12(16(2,3)20-18-14)9-21-15(13)19(17-10)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey ZTJPXWVSEMKPFA-UHFFFAOYSA-N
Molecular Weight 299.392 g/mol
SMILES c12c(C3=NOC(C3CS2)(C)C)c(C)n[n]1-c1ccccc1
SPLASH splash10-002b-3191000000-9f35d6d8aae7094b3f75
Source of Spectrum KC-0-2557-24
Synonyms 3,3,8-trimethyl-6-phenyl-3a,4-dihydro-3H,6H-pyrazolo[4',3':5,6]thiino[4,3-c]isoxazole
Wiley ID 782140