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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfHhJxJQZ4
Name (6R,7S,8S)-6-(N,N-dibenzylamino)-7,8-bis(methoxymethyl)oxy]nonan-1-one
CAS Registry Number 117941-29-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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(Cc1ccccc1)Cc1ccccc1)([C@@]([C@@](OCOC)(C)[H])(OCOC)[H])(CCCCC=O)[H]
SPLASH splash10-0006-8090200000-a1e3c0a3dfdf61b6adea
Source of Spectrum C-111-1408-64
Synonyms (6R,7S,8S)-6-(dibenzylamino)-7,8-bis(methoxymethoxy)nonanal
Wiley ID 1389658