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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, methyl ester, (S)-
SpectraBase Compound ID IfDg58f5tNO
InChI InChI=1S/C19H21NO4/c1-13(2)12-14(15(21)24-3)20-16(22)18-8-4-5-9-19(18,17(20)23)11-7-6-10-18/h4-11,13-14H,12H2,1-3H3/t14-,18-,19+/m0/s1
InChIKey GHJMSVPLXQODOV-ZOCIIQOWSA-N
Mol Weight 327.38 g/mol
Molecular Formula C19H21NO4
Exact Mass 327.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFNZUpFfhiZ
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, methyl ester, (S)-
Alternate Name(s) Methyl (2S)-2-{11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-2,4,7,9-tetraen-12-yl}-4-methylpentanoate Methyl 11',13'-dioxo-12'-aza[4.4.3]propella-2',4',7',9'-tetraene-12'-(2S)-4-methylpentanoate
CAS Registry Number 78420-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO4
InChI InChI=1S/C19H21NO4/c1-13(2)12-14(15(21)24-3)20-16(22)18-8-4-5-9-19(18,17(20)23)11-7-6-10-18/h4-11,13-14H,12H2,1-3H3/t14-,18-,19+/m0/s1
InChIKey GHJMSVPLXQODOV-ZOCIIQOWSA-N
Molecular Weight 327.380 g/mol
SMILES C1(N(C([C@]23C=CC=C[C@]12C=CC=C3)=O)[C@](C(=O)OC)(CC(C)C)[H])=O
SPLASH splash10-004i-0900000000-931bd906c70323027515
Source of Spectrum F-37-159-0
Wiley ID 1325596