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2a,6a-(Methaniminomethano)-1H-cyclopropa[b]naphthalene-1-carboxylic acid, 1a,2,3,6,7,7a-hexahydro-9-methyl-8,10-dioxo-, ethyl ester, (1.alpha.,1a.beta.,2a.beta.,6a.beta.,7a.beta.)-
SpectraBase Compound ID GK8Kyy0RVdP
InChI InChI=1S/C17H21NO4/c1-3-22-13(19)12-10-8-16-6-4-5-7-17(16,9-11(10)12)15(21)18(2)14(16)20/h4-5,10-12H,3,6-9H2,1-2H3/t10-,11+,12-,16+,17-
InChIKey FMMHWQYRBBJJDJ-CSSYHVIZSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvN0zeAAe9q
Name 2a,6a-(Methaniminomethano)-1H-cyclopropa[b]naphthalene-1-carboxylic acid, 1a,2,3,6,7,7a-hexahydro-9-methyl-8,10-dioxo-, ethyl ester, (1.alpha.,1a.beta.,2a.beta.,6a.beta.,7a.beta.)-
CAS Registry Number 64776-91-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-3-22-13(19)12-10-8-16-6-4-5-7-17(16,9-11(10)12)15(21)18(2)14(16)20/h4-5,10-12H,3,6-9H2,1-2H3/t10-,11+,12-,16+,17-
InChIKey FMMHWQYRBBJJDJ-CSSYHVIZSA-N
Molecular Weight 303.358 g/mol
SMILES [C@]123[C@](C(=O)N(C3=O)C)(C[C@@]3([C@](C1)([C@]3(C(=O)OCC)[H])[H])[H])CC=CC2
SPLASH splash10-0h0r-0953000000-981bc4c9e8289b82b374
Source of Spectrum F-33-1165-0
Synonyms Ethyl (1R,3R,4S,5S,7S)-13-methyl-12,14-dioxo-13-azatetracyclo[5.4.3.0(1,7).0(3,5)]tetradec-9-ene-4-carboxylate
Wiley ID 1305639