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2-Azabicyclo[3.1.0]hex-3-ene-2,6-dicarboxylic acid 2-tert-butyl ester 6-benzyl ester
SpectraBase Compound ID 5BiQUkIZneR
InChI InChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-10-9-13-14(15(13)19)16(20)22-11-12-7-5-4-6-8-12/h4-10,13-15H,11H2,1-3H3
InChIKey IYNOFCHQQSIMLU-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pqQOs4ODGa
Name 2-Azabicyclo[3.1.0]hex-3-ene-2,6-dicarboxylic acid 2-tert-butyl ester 6-benzyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-18(2,3)23-17(21)19-10-9-13-14(15(13)19)16(20)22-11-12-7-5-4-6-8-12/h4-10,13-15H,11H2,1-3H3
InChIKey IYNOFCHQQSIMLU-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES C12N(C=CC2C1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9000000000-cbbe825618a64f3500eb
Source of Spectrum KC-57-6500-11
Synonyms 6-benzyl 2-tert-butyl 2-azabicyclo[3.1.0]hex-3-ene-2,6-dicarboxylate
Wiley ID 1625151