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2-Azabicyclo[4.1.0]heptane-2,7-dicarboxylic acid, 6-ethyl-, 7-ethyl 2-methyl ester, (1.alpha.,6.alpha.,7.beta.)-(.+-.)-
SpectraBase Compound ID DNKjgh82bsM
InChI InChI=1S/C13H21NO4/c1-4-13-7-6-8-14(12(16)17-3)10(13)9(13)11(15)18-5-2/h9-10H,4-8H2,1-3H3/t9-,10-,13+/m1/s1
InChIKey OHAAYOUXBVIHSM-BREBYQMCSA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zWNRtaYv7n
Name 2-Azabicyclo[4.1.0]heptane-2,7-dicarboxylic acid, 6-ethyl-, 7-ethyl 2-methyl ester, (1.alpha.,6.alpha.,7.beta.)-(.+-.)-
CAS Registry Number 67738-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-4-13-7-6-8-14(12(16)17-3)10(13)9(13)11(15)18-5-2/h9-10H,4-8H2,1-3H3/t9-,10-,13+/m1/s1
InChIKey OHAAYOUXBVIHSM-BREBYQMCSA-N
Molecular Weight 255.314 g/mol
SMILES [C@@]1([C@@]2(CCCN([C@]12[H])C(=O)OC)CC)(C(=O)OCC)[H]
SPLASH splash10-001l-5930000000-600877dfad588f7724c6
Source of Spectrum J-53-1956-9
Synonyms 2-Methoxycarbonyl-6-ethyl-7-ethoxycarbonyl-2-azabicyclo[4.1.0]heptane 7-Ethyl 2-methyl (1R,6S,7R)-6-ethyl-2-azabicyclo[4.1.0]heptane-2,7-dicarboxylate
Wiley ID 1258757