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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, hexyl ester, (S)-
SpectraBase Compound ID 1DtdXutbeeZ
InChI InChI=1S/C24H31NO4/c1-4-5-6-9-14-29-20(26)17-25-21(27)23-11-7-8-12-24(23,22(25)28)16-19(10-13-23)15-18(2)3/h7-8,10-13,16,18H,4-6,9,14-15,17H2,1-3H3/t23-,24+/m0/s1
InChIKey ARHAPWNKIKRDNY-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C24H31NO4
Exact Mass 397.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERfODqV0et8
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, hexyl ester, (S)-
CAS Registry Number 78403-36-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO4
InChI InChI=1S/C24H31NO4/c1-4-5-6-9-14-29-20(26)17-25-21(27)23-11-7-8-12-24(23,22(25)28)16-19(10-13-23)15-18(2)3/h7-8,10-13,16,18H,4-6,9,14-15,17H2,1-3H3/t23-,24+/m0/s1
InChIKey ARHAPWNKIKRDNY-UHFFFAOYSA-N
Molecular Weight 397.515 g/mol
SMILES C1(N(C([C@]23C=CC(=C[C@]12C=CC=C3)CC(C)C)=O)CC(=O)OCCCCCC)=O
SPLASH splash10-004i-0900000000-cb06956006d029e64b80
Source of Spectrum F-37-159-0
Synonyms Hexyl 2-[3-(2-methylpropyl)-11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-2,4,7,9-tetraen-12-yl]acetate n-Hexyl 11',13'-dioxo-12'-aza[4.4.3]propella-2',4',7',9'-tetraene-12'-(2S)-4-methylpentanoate
Wiley ID 1368055