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(4aS*,5S*,7S*,8aR*)-7-Carboethoxy-5-nitrodecahydro-1-naphthalenone
SpectraBase Compound ID 59pZiAN6rWE
InChI InChI=1S/C13H19NO5/c1-2-19-13(16)8-6-10-9(4-3-5-12(10)15)11(7-8)14(17)18/h8-11H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1
InChIKey VFPBOYGCPKFVGP-MMWGEVLESA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeXlQZb5Mzl
Name (4aS*,5S*,7S*,8aR*)-7-Carboethoxy-5-nitrodecahydro-1-naphthalenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-2-19-13(16)8-6-10-9(4-3-5-12(10)15)11(7-8)14(17)18/h8-11H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1
InChIKey VFPBOYGCPKFVGP-MMWGEVLESA-N
Molecular Weight 269.297 g/mol
SMILES [C@]1(N(=O)=O)([C@@]2([C@@](C(=O)CCC2)([H])C[C@@](C1)(C(=O)OCC)[H])[H])[H]
SPLASH splash10-005a-1900000000-b1e783d9c6d6c0edfa2c
Source of Spectrum F-53-16720-12
Synonyms Ethyl (2S,4S,4aS,8aR)-4-nitro-8-oxodecahydro-2-naphthalenecarboxylate
Wiley ID 804523