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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, 1,1-dimethylethyl ester, (S)-
SpectraBase Compound ID HrrS5X7hMM3
InChI InChI=1S/C22H27NO4/c1-15(2)14-16(17(24)27-20(3,4)5)23-18(25)21-10-6-7-11-22(21,19(23)26)13-9-8-12-21/h6-13,15-16H,14H2,1-5H3/t16?,21-,22+
InChIKey JNLAZHFSYHZLOD-WKRVNPTQSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuQayH1jSgf
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, .alpha.-(2-methylpropyl)-9,11-dioxo-, 1,1-dimethylethyl ester, (S)-
Alternate Name(s) t-Butyl 11',13'-dioxo-12'-aza[4.4.3]propella-2',4',7',9'-tetraene-12'-(2S)-4-methylpentanoate tert-Butyl 2-{11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-2,4,7,9-tetraen-12-yl}-4-methylpentanoate
CAS Registry Number 78403-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-15(2)14-16(17(24)27-20(3,4)5)23-18(25)21-10-6-7-11-22(21,19(23)26)13-9-8-12-21/h6-13,15-16H,14H2,1-5H3/t16?,21-,22+
InChIKey JNLAZHFSYHZLOD-WKRVNPTQSA-N
Molecular Weight 369.461 g/mol
SMILES C1(N(C([C@]23C=CC=C[C@]12C=CC=C3)=O)C(C(OC(C)(C)C)=O)CC(C)C)=O
SPLASH splash10-004i-0960000000-6508b4352ad834f04254
Source of Spectrum F-37-160-0
Wiley ID 1353765