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dimethyl(1.alpha.,2.beta.,4.beta.,5.alpha.)-9-phenyl-7-oxa-3,4,6-diazatricyclo[4.3.0.0(2,5)]none-8-ene-3,4-dicarboxylate

View entire compound with spectra: 1 MS (GC)

dimethyl(1.alpha.,2.beta.,4.beta.,5.alpha.)-9-phenyl-7-oxa-3,4,6-diazatricyclo[4.3.0.0(2,5)]none-8-ene-3,4-dicarboxylate
SpectraBase Compound ID BuSCm7HqWAE
InChI InChI=1S/C15H15N3O5/c1-21-14(19)16-12-11-10(9-6-4-3-5-7-9)8-23-18(11)13(12)17(16)15(20)22-2/h3-8,11-13H,1-2H3/t11-,12-,13-/m1/s1
InChIKey FZZWXNGRSSGACZ-JHJVBQTASA-N
Mol Weight 317.3 g/mol
Molecular Formula C15H15N3O5
Exact Mass 317.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gc3b2EEHyN
Name dimethyl(1.alpha.,2.beta.,4.beta.,5.alpha.)-9-phenyl-7-oxa-3,4,6-diazatricyclo[4.3.0.0(2,5)]none-8-ene-3,4-dicarboxylate
CAS Registry Number 105252-50-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3O5
InChI InChI=1S/C15H15N3O5/c1-21-14(19)16-12-11-10(9-6-4-3-5-7-9)8-23-18(11)13(12)17(16)15(20)22-2/h3-8,11-13H,1-2H3/t11-,12-,13-/m1/s1
InChIKey FZZWXNGRSSGACZ-JHJVBQTASA-N
Molecular Weight 317.301 g/mol
SMILES [C@@]12(N(N([C@@]1([C@]1(C(=CON21)c1ccccc1)[H])[H])C(=O)OC)C(=O)OC)[H]
SPLASH splash10-0002-0904000000-648422e73d7711a1c5ba
Source of Spectrum K-120-207-13
Synonyms dimethyl (2R,5R,6R)-7-phenyl-9-oxa-1,3,4-triazatricyclo[4.3.0.0(2,5)]non-7-ene-3,4-dicarboxylate
Wiley ID 1317563