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9-O-(Octanoyl)-iso-Aaptamine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

9-O-(Octanoyl)-iso-Aaptamine
SpectraBase Compound ID IDkwTC3ug0u
InChI InChI=1S/C21H26N2O3/c1-4-5-6-7-8-9-18(24)26-21-17(25-3)14-15-10-12-22-16-11-13-23(2)20(21)19(15)16/h10-14H,4-9H2,1-3H3
InChIKey SXLMUAUALAVVAS-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrIE9emIyYV
Name 9-O-(Octanoyl)-iso-Aaptamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-4-5-6-7-8-9-18(24)26-21-17(25-3)14-15-10-12-22-16-11-13-23(2)20(21)19(15)16/h10-14H,4-9H2,1-3H3
InChIKey SXLMUAUALAVVAS-UHFFFAOYSA-N
Molecular Weight 354.450 g/mol
SMILES c12c(c(OC)cc3c2c(ncc3)C=CN1C)OC(=O)CCCCCCC
SPLASH splash10-004i-1190000000-93610bbb01f62b191165
Source of Spectrum G4-62-1266-8
Wiley ID 1608034