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3,5-Dimethyl-5,7a-dihydroisoxazolo[4,5-d]pyridzin-4(3aH)-one
SpectraBase Compound ID AtK6zItvN3M
InChI InChI=1S/C7H9N3O2/c1-4-6-5(12-9-4)3-8-10(2)7(6)11/h3,5-6H,1-2H3/t5-,6-/m0/s1
InChIKey PKSCALCCIBFWHU-WDSKDSINSA-N
Mol Weight 167.17 g/mol
Molecular Formula C7H9N3O2
Exact Mass 167.069477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MK9r45pVB3
Name 3,5-Dimethyl-5,7a-dihydroisoxazolo[4,5-d]pyridzin-4(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O2
InChI InChI=1S/C7H9N3O2/c1-4-6-5(12-9-4)3-8-10(2)7(6)11/h3,5-6H,1-2H3/t5-,6-/m0/s1
InChIKey PKSCALCCIBFWHU-WDSKDSINSA-N
Molecular Weight 167.168 g/mol
SMILES C1([C@@]2([C@](ON=C2C)([H])C=NN1C)[H])=O
SPLASH splash10-0udi-6900000000-767a8e35f054f4a84173
Source of Spectrum KC-57-4394-6
Synonyms (3aS,7aR)-3,5-dimethyl-3a,7a-dihydro-[1,2]oxazolo[4,5-d]pyridazin-4-one
Wiley ID 1624203