For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(6R,7S,8S)-6-(N,N-dibenzylamino)-7,8-bis(methoxymethyl)oxy]nonan-1-one

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

(6R,7S,8S)-6-(N,N-dibenzylamino)-7,8-bis(methoxymethyl)oxy]nonan-1-one
SpectraBase Compound ID Ieuv1VUmemJ
InChI InChI=1S/C27H39NO5/c1-23(32-21-30-2)27(33-22-31-3)26(17-11-6-12-18-29)28(19-24-13-7-4-8-14-24)20-25-15-9-5-10-16-25/h4-5,7-10,13-16,18,23,26-27H,6,11-12,17,19-22H2,1-3H3/t23-,26+,27+/m0/s1
InChIKey JEZUKPZOJRUHGX-HUROMRQRSA-N
Mol Weight 457.6 g/mol
Molecular Formula C27H39NO5
Exact Mass 457.282823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1FqAGeeFrTO
Name (6R,7S,8S)-6-(N,N-Dibenzylamino)-7,8-bis(methoxymethyl)oxy]nonan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.282823355 u
Formula C27H39NO5
InChI InChI=1S/C27H39NO5/c1-23(32-21-30-2)27(33-22-31-3)26(17-11-6-12-18-29)28(19-24-13-7-4-8-14-24)20-25-15-9-5-10-16-25/h4-5,7-10,13-16,18,23,26-27H,6,11-12,17,19-22H2,1-3H3/t23-,26+,27+/m0/s1
InChIKey JEZUKPZOJRUHGX-HUROMRQRSA-N
Molecular Weight 457.611 g/mol
SMILES [C@@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)([C@@]([C@@](OCOC)(C)[H])(OCOC)[H])(CCCCC=O)[H]