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Ethyl 2-(p-Nitrobenzoyl-2-azabicyclo[2.2.1]hept-5-ene-3-endo-caerboxylate isomer
SpectraBase Compound ID Le1BdtYlJB2
InChI InChI=1S/C16H16N2O5/c1-2-23-16(20)14-11-5-8-13(9-11)17(14)15(19)10-3-6-12(7-4-10)18(21)22/h3-8,11,13-14H,2,9H2,1H3/t11-,13+,14?/m0/s1
InChIKey JWLRCXCSUZTAJQ-MKDGSZCOSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31aATOY2tVS
Name Ethyl 2-(p-Nitrobenzoyl-2-azabicyclo[2.2.1]hept-5-ene-3-endo-caerboxylate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-2-23-16(20)14-11-5-8-13(9-11)17(14)15(19)10-3-6-12(7-4-10)18(21)22/h3-8,11,13-14H,2,9H2,1H3/t11-,13+,14?/m0/s1
InChIKey JWLRCXCSUZTAJQ-MKDGSZCOSA-N
Molecular Weight 316.313 g/mol
SMILES C(N1[C@@]2(C=C[C@](C1C(=O)OCC)(C2)[H])[H])(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0udl-6920000000-219b54e4519ba0994872
Source of Spectrum AJ-65-63-5
Wiley ID 771315