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(7R,8S,9S)-9-(1,3-dioxo-2-azaindan-2-yl)-7,8-bis(methoxymethyl)-oxy]tridec-1-en-6-one
SpectraBase Compound ID 4kLlSSmdqus
InChI InChI=1S/C25H35NO7/c1-5-7-9-15-21(27)23(33-17-31-4)22(32-16-30-3)20(14-8-6-2)26-24(28)18-12-10-11-13-19(18)25(26)29/h5,10-13,20,22-23H,1,6-9,14-17H2,2-4H3/t20-,22+,23+/m0/s1
InChIKey GFQZIQIXOHIVDK-MDNUFGMLSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H35NO7
Exact Mass 461.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oLqEJyxSzf
Name (7R,8S,9S)-9-(1,3-dioxo-2-azaindan-2-yl)-7,8-bis(methoxymethyl)-oxy]tridec-1-en-6-one
CAS Registry Number 118014-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO7
InChI InChI=1S/C25H35NO7/c1-5-7-9-15-21(27)23(33-17-31-4)22(32-16-30-3)20(14-8-6-2)26-24(28)18-12-10-11-13-19(18)25(26)29/h5,10-13,20,22-23H,1,6-9,14-17H2,2-4H3/t20-,22+,23+/m0/s1
InChIKey GFQZIQIXOHIVDK-MDNUFGMLSA-N
Molecular Weight 461.555 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@]([C@]([C@@](C(=O)CCCC=C)(OCOC)[H])(OCOC)[H])(CCCC)[H])=O
SPLASH splash10-02t9-0590000000-1eb0275aec92f9d420ca
Source of Spectrum C-111-1404-28
Synonyms 2-[(1S,2R,3S)-1-butyl-2,3-bis(methoxymethoxy)-4-oxo-8-nonenyl]-1H-isoindole-1,3(2H)-dione
Wiley ID 1390785