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(2S,3S,4R)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-bis[(methoxymethyl)-oxy]octanol

View entire compound with spectra: 1 MS (GC)

(2S,3S,4R)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-bis[(methoxymethyl)-oxy]octanol
SpectraBase Compound ID LyBrHrmekKu
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+/m1/s1
InChIKey HZEZLSYYQWIZDM-SQNIBIBYSA-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 8O5vHbLnm4C
Name (2S,3S,4R)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-bis[(methoxymethyl)-oxy]octanol
CAS Registry Number 117941-08-9
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+/m1/s1
InChIKey HZEZLSYYQWIZDM-SQNIBIBYSA-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-0790000000-94d0582b3135b624e8c1
Source of Spectrum C-111-1403-19
Synonyms 2-{(1R)-1-[(1S,2S)-3-hydroxy-1,2-bis(methoxymethoxy)propyl]pentyl}-1H-isoindole-1,3(2H)-dione
Wiley ID 1367017