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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 1,4,5,8-tetrahydro-.alpha.-(2-methylpropyl)-9,11-dioxo-, 1,1-dimethylethyl ester, (S)-
SpectraBase Compound ID 8GYQgD4Lu9I
InChI InChI=1S/C22H31NO4/c1-16(9-10-17(24)27-20(2,3)4)15-23-18(25)21-11-5-6-12-22(21,19(23)26)14-8-7-13-21/h5-8,16H,9-15H2,1-4H3/t16-,21?,22?/m0/s1
InChIKey PIWPJMPHIDJDOS-XDGVHFHYSA-N
Mol Weight 373.49 g/mol
Molecular Formula C22H31NO4
Exact Mass 373.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjjAkmHvMBj
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 1,4,5,8-tetrahydro-.alpha.-(2-methylpropyl)-9,11-dioxo-, 1,1-dimethylethyl ester, (S)-
CAS Registry Number 78388-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO4
InChI InChI=1S/C22H31NO4/c1-16(9-10-17(24)27-20(2,3)4)15-23-18(25)21-11-5-6-12-22(21,19(23)26)14-8-7-13-21/h5-8,16H,9-15H2,1-4H3/t16-,21?,22?/m0/s1
InChIKey PIWPJMPHIDJDOS-XDGVHFHYSA-N
Molecular Weight 373.493 g/mol
SMILES C1(N(C(C23CC=CCC12CC=CC3)=O)C[C@](CCC(OC(C)(C)C)=O)(C)[H])=O
SPLASH splash10-0aw9-4191000000-e3730ba6ce6c340c6b04
Source of Spectrum F-37-160-0
Synonyms t-Butyl 11',13'-dioxo-12'-aza[4.4.3]propella-3',8'-diene-12'-(2S)-4-methylpentanoate tert-Butyl (4S)-5-{11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-3,8-dien-12-yl}-4-methylpentanoate
Wiley ID 1356170