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8-(4-Methoxybenzylidene)-4-(4-methoxyphenyl)-1,3,4,5,7,8-hexahydro-2H-spiro[quinazoline-6,2'-[1,3]dioxolane]-2-thione
SpectraBase Compound ID FopAT7KNsCQ
InChI InChI=1S/C25H26N2O4S/c1-28-19-7-3-16(4-8-19)13-18-14-25(30-11-12-31-25)15-21-22(26-24(32)27-23(18)21)17-5-9-20(29-2)10-6-17/h3-10,13,22H,11-12,14-15H2,1-2H3,(H2,26,27,32)/b18-13+
InChIKey XXFYPWBSJAPUQN-QGOAFFKASA-N
Mol Weight 450.55 g/mol
Molecular Formula C25H26N2O4S
Exact Mass 450.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWb99Xns2px
Name 8-(4-Methoxybenzylidene)-4-(4-methoxyphenyl)-1,3,4,5,7,8-hexahydro-2H-spiro[quinazoline-6,2'-[1,3]dioxolane]-2-thione
Appearance Yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.161328495 u
Formula C25H26N2O4S
InChI InChI=1S/C25H26N2O4S/c1-28-19-7-3-16(4-8-19)13-18-14-25(30-11-12-31-25)15-21-22(26-24(32)27-23(18)21)17-5-9-20(29-2)10-6-17/h3-10,13,22H,11-12,14-15H2,1-2H3,(H2,26,27,32)/b18-13+
InChIKey XXFYPWBSJAPUQN-QGOAFFKASA-N
Instrument Name Finnigan MAT SSQ-7000
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4531
Molecular Weight 450.553 g/mol
Quality 916
SMILES N1C(C=2CC3(C\C(C2NC1=S)=C\C1=CC=C(C=C1)OC)OCCO3)C1=CC=C(C=C1)OC
SPLASH splash10-0umi-6901200000-be89c90d7d41ac61bd4e
Source of Spectrum Y-59-SM16-10a (DOI: 10.1002/jhet.4531)
Wiley ID 1892390