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(2R,3S,4R)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-[bis(methoxymethyl)oxy]octanal
SpectraBase Compound ID 7pIJ9f73DNN
InChI InChI=1S/C20H27NO7/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/h6-9,11,16-18H,4-5,10,12-13H2,1-3H3/t16-,17+,18+/m1/s1
InChIKey YNEQICQYNPYXQC-SQNIBIBYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C20H27NO7
Exact Mass 393.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOkvmc5m3Hb
Name (2R,3S,4R)-4-(1,3-dioxo-2-azaindan-2-yl)-2,3-[bis(methoxymethyl)oxy]octanal
CAS Registry Number 117941-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO7
InChI InChI=1S/C20H27NO7/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/h6-9,11,16-18H,4-5,10,12-13H2,1-3H3/t16-,17+,18+/m1/s1
InChIKey YNEQICQYNPYXQC-SQNIBIBYSA-N
Molecular Weight 393.436 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@@]([C@@]([C@](C=O)(OCOC)[H])(OCOC)[H])(CCCC)[H])=O
SPLASH splash10-03xr-0973000000-6138ce35c9710375ed82
Source of Spectrum C-111-1403-20
Synonyms (2R,3S,4R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2,3-bis(methoxymethoxy)octanal
Wiley ID 1366242