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4-(4-Isopropoxyphenyl)tetrahydro-3,6-pyridazinedione

View entire compound with spectra: 1 MS (GC)

4-(4-Isopropoxyphenyl)tetrahydro-3,6-pyridazinedione
SpectraBase Compound ID FKGigFGVEnP
InChI InChI=1S/C13H16N2O3/c1-8(2)18-10-5-3-9(4-6-10)11-7-12(16)14-15-13(11)17/h3-6,8,11H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKey CJAKPXSTXPZUMX-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgrlrE3zIZ
Name 4-(4-Isopropoxyphenyl)tetrahydro-3,6-pyridazinedione
CAS Registry Number 300590-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-8(2)18-10-5-3-9(4-6-10)11-7-12(16)14-15-13(11)17/h3-6,8,11H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKey CJAKPXSTXPZUMX-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES N1NC(CC(C1=O)c1ccc(OC(C)C)cc1)=O
SPLASH splash10-00du-3920000000-d72f4dfb96a4e9809d14
Source of Spectrum AD-0-2532-0
Synonyms 1,2-Diazine-3,6-dione, perhydro-4-(4-isopropoxyphenyl)- 4-(4-isopropoxyphenyl)hexahydropyridazine-3,6-dione 4-(4-isopropoxyphenyl)hexahydropyridazine-3,6-quinone 4-(4-propan-2-yloxyphenyl)-1,2-diazinane-3,6-dione 4-(4-propan-2-yloxyphenyl)diazinane-3,6-dione
Wiley ID 1424826