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(2S,3S,4R)-1-(benzyloxy)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-bis[(methoxymethyl)oxy]octane
SpectraBase Compound ID FlcFVZ4A7W5
InChI InChI=1S/C27H35NO7/c1-4-5-15-23(28-26(29)21-13-9-10-14-22(21)27(28)30)25(35-19-32-3)24(34-18-31-2)17-33-16-20-11-7-6-8-12-20/h6-14,23-25H,4-5,15-19H2,1-3H3/t23-,24+,25+/m1/s1
InChIKey WNRWCZABCJWTNV-DSITVLBTSA-N
Mol Weight 485.6 g/mol
Molecular Formula C27H35NO7
Exact Mass 485.241352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36cyuiOqhMj
Name (2S,3S,4R)-1-(Benzyloxy)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-bis[(methoxymethyl)oxy]octane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.241352464 u
Formula C27H35NO7
InChI InChI=1S/C27H35NO7/c1-4-5-15-23(28-26(29)21-13-9-10-14-22(21)27(28)30)25(35-19-32-3)24(34-18-31-2)17-33-16-20-11-7-6-8-12-20/h6-14,23-25H,4-5,15-19H2,1-3H3/t23-,24+,25+/m1/s1
InChIKey WNRWCZABCJWTNV-DSITVLBTSA-N
Molecular Weight 485.577 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)[C@@]([C@@]([C@@](OCOC)(COCC=1C=CC=CC1)[H])(OCOC)[H])(CCCC)[H])=O