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9-O-(Stearyl)-iso-Aaptamine

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

9-O-(Stearyl)-iso-Aaptamine
SpectraBase Compound ID 4j1VE5IDtaa
InChI InChI=1S/C31H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(34)36-31-27(35-3)24-25-20-22-32-26-21-23-33(2)30(31)29(25)26/h20-24H,4-19H2,1-3H3
InChIKey BZTPTJCZDWPFNV-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C31H46N2O3
Exact Mass 494.350843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I48ORYd5KWL
Name 9-O-(Stearyl)-iso-Aaptamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46N2O3
InChI InChI=1S/C31H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(34)36-31-27(35-3)24-25-20-22-32-26-21-23-33(2)30(31)29(25)26/h20-24H,4-19H2,1-3H3
InChIKey BZTPTJCZDWPFNV-UHFFFAOYSA-N
Molecular Weight 494.720 g/mol
SMILES c12c(c(OC)cc3c2c(ncc3)C=CN1C)OC(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-004i-6190000000-b63172a88cc927beb984
Source of Spectrum G4-62-1266-14
Wiley ID 1608028