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

*Links on SpectraBase are not permalinks.
Isoxazolo[5,4-d]pyrimidine-4,6(5H,7H)-dione, 3a,7a-dihydro-5-methyl-3-phenyl-, cis-
SpectraBase Compound ID IYo5CV33VMy
InChI InChI=1S/C12H11N3O3/c1-15-11(16)8-9(7-5-3-2-4-6-7)14-18-10(8)13-12(15)17/h2-6,8,10H,1H3,(H,13,17)
InChIKey QQLJDTDSFGWZDK-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 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 5s2WeNir5E8
Name Isoxazolo[5,4-d]pyrimidine-4,6(5H,7H)-dione, 3a,7a-dihydro-5-methyl-3-phenyl-, cis-
CAS Registry Number 35053-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c1-15-11(16)8-9(7-5-3-2-4-6-7)14-18-10(8)13-12(15)17/h2-6,8,10H,1H3,(H,13,17)
InChIKey QQLJDTDSFGWZDK-UHFFFAOYSA-N
Molecular Weight 245.238 g/mol
SMILES N1C(N(C(C2C1ON=C2c1ccccc1)=O)C)=O
SPLASH splash10-0gb9-6910000000-08a5cdcb28f3a57b7445
Source of Spectrum J-7-2985-5
Synonyms 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo[5,4-d]pyrimidine-4,6(3ah,5H)-dione 5-Methyl-3-phenyl-7,7a-dihydro-3aH-isoxazolo[5,4-d]pyrimidine-4,6-dione 5-Methyl-3-phenyl-7,7a-dihydro-3aH-isoxazolo[5,4-d]pyrimidine-4,6-quinone 5-Methyl-3-phenyl-7,7a-dihydro-3aH-[1,2]oxazolo[5,4-d]pyrimidine-4,6-dione NSC 156119
Wiley ID 1247860