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NEOECHINULIN-A
SpectraBase Compound ID Gqo86g6ZJt3
InChI InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1
InChIKey MYRPIYZIAHOECW-SAIXKJTDSA-N
Mol Weight 323.4 g/mol
Molecular Formula C19H21N3O2
Exact Mass 323.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bOSNtR5H0V
Name (3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
CAS Registry Number 51551-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O2
InChI InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1
InChIKey MYRPIYZIAHOECW-SAIXKJTDSA-N
Molecular Weight 323.396 g/mol
SMILES [nH]1c2c(c(\C=C/3C(N[C@@](C)(C(N3)=O)[H])=O)c1C(C=C)(C)C)cccc2
SPLASH splash10-0v59-1796000000-003dac945a1f9422675c
Source of Spectrum KC-1977-7-715
Synonyms (3Z,6S)-3-[[2-(1,1-dimethylallyl)-1H-indol-3-yl]methylene]-6-methyl-piperazine-2,5-dione (3Z,6S)-3-[[2-(1,1-dimethylallyl)-1H-indol-3-yl]methylene]-6-methyl-piperazine-2,5-quinone Neoechinulin A
Wiley ID 1322530