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7,8-Diazatricyclo[4.3.0.02,5]non-7-ene-3,4-dicarboxylic acid, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.beta.,5.beta.,6.alpha.)-
SpectraBase Compound ID FmLyABPmMSR
InChI InChI=1S/C11H14N2O4/c1-16-10(14)7-5-4-3-12-13-9(4)6(5)8(7)11(15)17-2/h4-9H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-/m0/s1
InChIKey QJVLCFADNKGPDZ-NVMJTSJSSA-N
Mol Weight 238.24 g/mol
Molecular Formula C11H14N2O4
Exact Mass 238.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGcOnaOqznZ
Name 7,8-Diazatricyclo[4.3.0.02,5]non-7-ene-3,4-dicarboxylic acid, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.beta.,5.beta.,6.alpha.)-
Alternate Name(s) 7,8-Diaza-exo-tricyclo[4.3.0.0(2,5)]non-7-en-endo-3,endo-4-dicarbonsaure-dimethylester dimethyl (1R,2R,3R,4S,5R,6R)-7,8-diazatricyclo[4.3.0.0(2,5)]non-7-ene-3,4-dicarboxylate
CAS Registry Number 100853-94-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O4
InChI InChI=1S/C11H14N2O4/c1-16-10(14)7-5-4-3-12-13-9(4)6(5)8(7)11(15)17-2/h4-9H,3H2,1-2H3/t4-,5-,6+,7+,8-,9-/m0/s1
InChIKey QJVLCFADNKGPDZ-NVMJTSJSSA-N
Molecular Weight 238.243 g/mol
SMILES [C@]12([C@]([H])([C@@]([C@@]2(C(=O)OC)[H])(C(=O)OC)[H])[C@@]2([C@]1(CN=N2)[H])[H])[H]
SPLASH splash10-0006-9000000000-77e0147bc71e657d9684
Source of Spectrum K-118-4216-10
Wiley ID 1240157