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(3S,4aS,8aS)-3-ethoxy-4a-nitro-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
SpectraBase Compound ID 55yltlVfn98
InChI InChI=1S/C12H19NO4/c1-2-17-11-8-12(13(15)16)6-4-3-5-9(12)7-10(11)14/h9,11H,2-8H2,1H3/t9-,11-,12-/m0/s1
InChIKey ZAMCWOJBAYJZRN-DLOVCJGASA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KttQh5MSUr9
Name (3S,4aS,8aS)-3-ethoxy-4a-nitro-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-2-17-11-8-12(13(15)16)6-4-3-5-9(12)7-10(11)14/h9,11H,2-8H2,1H3/t9-,11-,12-/m0/s1
InChIKey ZAMCWOJBAYJZRN-DLOVCJGASA-N
Molecular Weight 241.287 g/mol
SMILES [C@]12(N(=O)=O)C[C@](OCC)(C(C[C@@]2(CCCC1)[H])=O)[H]
SPLASH splash10-0006-9300000000-b38811473764352ad59b
Source of Spectrum KC-0-228-27
Synonyms (3S,4aS,8aS)-3-ethoxy-4a-nitro-decalin-2-one
Wiley ID 787094