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Diethyl (5'-acetyl-1'-methylindol-3'-ylmethyl)nitromalonate and diethyl (6'-acetyl-1'-methylindol-3'-ylmethyl)nitromalonate

View entire compound with spectra: 1 MS (GC)

Diethyl (5'-acetyl-1'-methylindol-3'-ylmethyl)nitromalonate and diethyl (6'-acetyl-1'-methylindol-3'-ylmethyl)nitromalonate
SpectraBase Compound ID 3UYus5AvAhV
InChI InChI=1S/C19H22N2O7/c1-5-27-17(23)19(21(25)26,18(24)28-6-2)10-14-11-20(4)16-8-7-13(12(3)22)9-15(14)16/h7-9,11H,5-6,10H2,1-4H3
InChIKey PLPPNXBHADPUGN-UHFFFAOYSA-N
Mol Weight 390.39 g/mol
Molecular Formula C19H22N2O7
Exact Mass 390.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cfz0qdg4pIz
Name Diethyl (5'-acetyl-1'-methylindol-3'-ylmethyl)nitromalonate and diethyl (6'-acetyl-1'-methylindol-3'-ylmethyl)nitromalonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O7
InChI InChI=1S/C19H22N2O7/c1-5-27-17(23)19(21(25)26,18(24)28-6-2)10-14-11-20(4)16-8-7-13(12(3)22)9-15(14)16/h7-9,11H,5-6,10H2,1-4H3
InChIKey PLPPNXBHADPUGN-UHFFFAOYSA-N
Molecular Weight 390.392 g/mol
SMILES C(N(=O)=O)(Cc1c2c(ccc(c2)C(=O)C)[n](c1)C)(C(=O)OCC)C(=O)OCC
SPLASH splash10-000l-0924000000-c3b8edb47b87bc927ab1
Source of Spectrum B-46-1725-0
Synonyms Diethyl 2-[(5-acetyl-1-methyl-1H-indol-3-yl)methyl]-2-nitromalonate
Wiley ID 1364671