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9-Azabicyclo[3.3.1]non-2-ene-9-carboxylic acid, 6-(acetyloxy)-, ethyl ester, endo-
SpectraBase Compound ID hkJdFEST7W
InChI InChI=1S/C13H19NO4/c1-3-17-13(16)14-10-5-4-6-11(14)12(8-7-10)18-9(2)15/h4-5,10-12H,3,6-8H2,1-2H3/t10-,11+,12?/m1/s1
InChIKey LXJGRFHPPHBCAE-UBNQGINQSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TPfMtoiCWq
Name 9-Azabicyclo[3.3.1]non-2-ene-9-carboxylic acid, 6-(acetyloxy)-, ethyl ester, endo-
CAS Registry Number 49690-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-3-17-13(16)14-10-5-4-6-11(14)12(8-7-10)18-9(2)15/h4-5,10-12H,3,6-8H2,1-2H3/t10-,11+,12?/m1/s1
InChIKey LXJGRFHPPHBCAE-UBNQGINQSA-N
Molecular Weight 253.298 g/mol
SMILES C(OCC)(=O)N1[C@@]2(C(OC(C)=O)CC[C@]1(C=CC2)[H])[H]
SPLASH splash10-0uec-5910000000-765b9d43f71017e1b4a9
Source of Spectrum H-56-2002-16
Synonyms Ethyl 6-(acetyloxy)-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate 6-Acetoxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylic acid ethyl ester 6-Acetyloxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylic acid ethyl ester Ethyl 6-acetoxy-9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
Wiley ID 1256709