For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(adamantan-1-yl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
SpectraBase Compound ID BgJRf2fjrlN
InChI InChI=1S/C26H27N3O4S/c1-33-23-7-6-16(11-22(23)29(31)32)15-34-25-27-21-5-3-2-4-20(21)24(30)28(25)26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3/t17-,18+,19-,26-
InChIKey QUWPYCKBAYNWLL-MCTDJQMZSA-N
Mol Weight 477.58 g/mol
Molecular Formula C26H27N3O4S
Exact Mass 477.172228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2XOKp4ixAGB
Name 3-(adamantan-1-yl)-2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N3O4S
InChI InChI=1S/C26H27N3O4S/c1-33-23-7-6-16(11-22(23)29(31)32)15-34-25-27-21-5-3-2-4-20(21)24(30)28(25)26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3/t17-,18+,19-,26-
InChIKey QUWPYCKBAYNWLL-MCTDJQMZSA-N
Molecular Weight 477.579 g/mol
SMILES c1cc2c(C(N(C(=N2)SCc2cc(N(=O)=O)c(cc2)OC)C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)cc1
SPLASH splash10-000l-9500000000-f60899e5236f97384c3d
Source of Spectrum IY-2-4976-6
Synonyms 4(3H)-Quinazolinone, 2-[[(4-methoxy-3-nitrophenyl)methyl]thio]-3-tricyclo[3.3.1.1(3,7)]dec-1-yl- 3-(1-adamantyl)-2-[(4-methoxy-3-nitrophenyl)methylthio]-4-quinazolinone 3-(1-adamantyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]quinazolin-4-one 3-(1-adamantyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]quinazolin-4-one
Wiley ID 1657749