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1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-5,8-dimethoxy-2-phenyl-, cis-
SpectraBase Compound ID K3THZGUg4C5
InChI InChI=1S/C14H17N3O4/c1-20-11-8-9-12(21-2)17-14(19)15(13(18)16(11)17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12+
InChIKey VUCWDPRWMRDZFT-TXEJJXNPSA-N
Mol Weight 291.31 g/mol
Molecular Formula C14H17N3O4
Exact Mass 291.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eQE8BTO4xL
Name 1H-[1,2,4]Triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-5,8-dimethoxy-2-phenyl-, cis-
CAS Registry Number 99532-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O4
InChI InChI=1S/C14H17N3O4/c1-20-11-8-9-12(21-2)17-14(19)15(13(18)16(11)17)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12+
InChIKey VUCWDPRWMRDZFT-TXEJJXNPSA-N
Molecular Weight 291.307 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@@](CC[C@@]2(OC)[H])(OC)[H])=O
SPLASH splash10-00kf-2790000000-618f6fe46cbe408ffa87
Source of Spectrum J-50-5608-18
Synonyms (5R,8S)-5,8-dimethoxy-2-phenyltetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione cis-5,8-dimethoxy-2-phenyltetrahydro-S-triazolo[1,2-a]pyridazine-1,3-dione
Wiley ID 1294442