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9'-Methyl-7'-phenyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one
SpectraBase Compound ID KdvULaryM1J
InChI InChI=1S/C21H21N3OS/c1-13-12-15(14-8-4-2-5-9-14)22-20-16(13)17-18(26-20)19(25)24-21(23-17)10-6-3-7-11-21/h2,4-5,8-9,12,23H,3,6-7,10-11H2,1H3,(H,24,25)
InChIKey IJMCWQJGKHEXTR-UHFFFAOYSA-N
Mol Weight 363.48 g/mol
Molecular Formula C21H21N3OS
Exact Mass 363.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rCW4qqWToE
Name 9'-Methyl-7'-phenyl-1'H-spiro[cyclohexane-1,2'-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin]-4'(3'H)-one
Appearance Black powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3OS
InChI InChI=1S/C21H21N3OS/c1-13-12-15(14-8-4-2-5-9-14)22-20-16(13)17-18(26-20)19(25)24-21(23-17)10-6-3-7-11-21/h2,4-5,8-9,12,23H,3,6-7,10-11H2,1H3,(H,24,25)
InChIKey IJMCWQJGKHEXTR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3810
Molecular Weight 363.479 g/mol
SMILES N1C2(CCCCC2)NC(c2sc3nc(cc(c3c12)C)-c1ccccc1)=O
SPLASH splash10-052f-9210000000-66183ef05bf1d897c694
Source of Spectrum Y-57-SM93-38
Wiley ID 1860020