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(2S,3S,4S)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-bis[(methoxymethyl)oxy]octanol
SpectraBase Compound ID IvLT7aebmwa
InChI InChI=1S/C20H29NO7/c1-4-5-10-16(18(28-13-26-3)17(11-22)27-12-25-2)21-19(23)14-8-6-7-9-15(14)20(21)24/h6-9,16-18,22H,4-5,10-13H2,1-3H3/t16-,17-,18-/m0/s1
InChIKey HZEZLSYYQWIZDM-BZSNNMDCSA-N
Mol Weight 395.45 g/mol
Molecular Formula C20H29NO7
Exact Mass 395.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53unXYq9GUM
Name (2S,3S,4S)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-bis[(methoxymethyl)oxy]octanol
Alternate Name(s) 2-{(1S)-1-[(1S,2S)-3-hydroxy-1,2-bis(methoxymethoxy)propyl]pentyl}-1H-isoindole-1,3(2H)-dione
CAS Registry Number 118015-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO7
InChI InChI=1S/C20H29NO7/c1-4-5-10-16(18(28-13-26-3)17(11-22)27-12-25-2)21-19(23)14-8-6-7-9-15(14)20(21)24/h6-9,16-18,22H,4-5,10-13H2,1-3H3/t16-,17-,18-/m0/s1
InChIKey HZEZLSYYQWIZDM-BZSNNMDCSA-N
Molecular Weight 395.452 g/mol
SMILES OC[C@@]([C@]([C@@](N1C(c2ccccc2C1=O)=O)(CCCC)[H])(OCOC)[H])(OCOC)[H]
SPLASH splash10-03xr-0690000000-ae672bfe119df3896c9f
Source of Spectrum C-111-1403-25
Wiley ID 1367018