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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 2-bromo-.alpha.-(2-methylpropyl)-9,11-dioxo-, hexyl ester, (S)-
SpectraBase Compound ID 922pbOItQFg
InChI InChI=1S/C24H30BrNO4/c1-4-5-6-9-14-30-20(27)19(15-17(2)3)26-21(28)23-11-7-8-12-24(23,22(26)29)16-18(25)10-13-23/h7-8,10-13,16-17,19H,4-6,9,14-15H2,1-3H3/t19?,23-,24+/m1/s1
InChIKey FJLYGJOITNADNI-XRVPCZGUSA-N
Mol Weight 476.41 g/mol
Molecular Formula C24H30BrNO4
Exact Mass 475.135821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4iJoGzIpJR
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 2-bromo-.alpha.-(2-methylpropyl)-9,11-dioxo-, hexyl ester, (S)-
CAS Registry Number 78403-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30BrNO4
InChI InChI=1S/C24H30BrNO4/c1-4-5-6-9-14-30-20(27)19(15-17(2)3)26-21(28)23-11-7-8-12-24(23,22(26)29)16-18(25)10-13-23/h7-8,10-13,16-17,19H,4-6,9,14-15H2,1-3H3/t19?,23-,24+/m1/s1
InChIKey FJLYGJOITNADNI-XRVPCZGUSA-N
Molecular Weight 476.411 g/mol
SMILES C1(N(C([C@@]23C=CC(=C[C@@]12C=CC=C3)Br)=O)C(C(=O)OCCCCCC)CC(C)C)=O
SPLASH splash10-0a4i-0090000000-58a1cb92c496b4348bd5
Source of Spectrum F-37-163-0
Synonyms Hexyl 2-{3-bromo-11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-2,4,7,9-tetraen-12-yl}-4-methylpentanoate n-Hexyl 3'-bromo-11',13'-dioxo-12'-aza[4.4.3]propella-2',4',7',9'-12(2S)-4-methylpentanoate
Wiley ID 1394097