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exo-3-(methoxycarbonyl)-endo-3-carboxy-N-phenyl-6,7-diazatricyclo[3.2.2.0(2,4)]none-8-ene-6,7-dicarboximide
SpectraBase Compound ID 1f7FI609uR
InChI InChI=1S/C18H15N3O6/c1-27-15(24)18(14(22)23)12-10-7-8-11(13(12)18)21-17(26)19(16(25)20(10)21)9-5-3-2-4-6-9/h2-8,10-13H,1H3,(H,22,23)/t10-,11-,12?,13?,18?/m1/s1
InChIKey XKVMHIJVFWYAIB-VIWDNIPDSA-N
Mol Weight 369.33 g/mol
Molecular Formula C18H15N3O6
Exact Mass 369.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUoRYFuzeJT
Name exo-3-(methoxycarbonyl)-endo-3-carboxy-N-phenyl-6,7-diazatricyclo[3.2.2.0(2,4)]none-8-ene-6,7-dicarboximide
CAS Registry Number 109746-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O6
InChI InChI=1S/C18H15N3O6/c1-27-15(24)18(14(22)23)12-10-7-8-11(13(12)18)21-17(26)19(16(25)20(10)21)9-5-3-2-4-6-9/h2-8,10-13H,1H3,(H,22,23)/t10-,11-,12?,13?,18?/m1/s1
InChIKey XKVMHIJVFWYAIB-VIWDNIPDSA-N
Molecular Weight 369.333 g/mol
SMILES OC(C1(C2[C@@]3(N4C(=O)N(C(N4[C@@](C12)(C=C3)[H])=O)c1ccccc1)[H])C(=O)OC)=O
SPLASH splash10-00kf-9700000000-56e77563c9548975570b
Source of Spectrum K-120-2079-6
Synonyms 9-(methoxycarbonyl)-3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[5.3.2.0(2,6).0(8,10)]dodec-11-ene-9-carboxylic acid
Wiley ID 1353572