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9-O-(Heptanoyl)-iso-Aaptamine

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

9-O-(Heptanoyl)-iso-Aaptamine
SpectraBase Compound ID Iwc1to0gU8M
InChI InChI=1S/C20H24N2O3/c1-4-5-6-7-8-17(23)25-20-16(24-3)13-14-9-11-21-15-10-12-22(2)19(20)18(14)15/h9-13H,4-8H2,1-3H3
InChIKey QPCFGRZJQYDOHZ-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mGZffOw3HJ
Name 9-O-(Heptanoyl)-iso-Aaptamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-4-5-6-7-8-17(23)25-20-16(24-3)13-14-9-11-21-15-10-12-22(2)19(20)18(14)15/h9-13H,4-8H2,1-3H3
InChIKey QPCFGRZJQYDOHZ-UHFFFAOYSA-N
Molecular Weight 340.423 g/mol
SMILES c12c(c(OC)cc3c2c(ncc3)C=CN1C)OC(=O)CCCCCC
SPLASH splash10-01po-9661000000-ab415cba8a0c16095d07
Source of Spectrum G4-62-1265-7
Wiley ID 1608035