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4-[(5E,7E)-1-formyl-6-(2-oxanyloxymethyl)-3,4-dihydro-2H-azocin-7-yl]-2-methyl-4-oxobutanoic acid tert-butyl ester
SpectraBase Compound ID BUnZW6cA0lj
InChI InChI=1S/C23H35NO6/c1-17(22(27)30-23(2,3)4)13-20(26)19-14-24(16-25)11-7-5-9-18(19)15-29-21-10-6-8-12-28-21/h9,14,16-17,21H,5-8,10-13,15H2,1-4H3/b18-9-,19-14+
InChIKey ACYHWEDZNLSGKR-SCDXVAQQSA-N
Mol Weight 421.5 g/mol
Molecular Formula C23H35NO6
Exact Mass 421.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nKUsOuTgV9
Name 4-[(5E,7E)-1-formyl-6-(2-oxanyloxymethyl)-3,4-dihydro-2H-azocin-7-yl]-2-methyl-4-oxobutanoic acid tert-butyl ester
CAS Registry Number 83253-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35NO6
InChI InChI=1S/C23H35NO6/c1-17(22(27)30-23(2,3)4)13-20(26)19-14-24(16-25)11-7-5-9-18(19)15-29-21-10-6-8-12-28-21/h9,14,16-17,21H,5-8,10-13,15H2,1-4H3/b18-9-,19-14+
InChIKey ACYHWEDZNLSGKR-SCDXVAQQSA-N
Molecular Weight 421.534 g/mol
SMILES C(\C1=C\N(C=O)CCC\C=C/1COC1OCCCC1)(CC(C(OC(C)(C)C)=O)C)=O
SPLASH splash10-0a4i-9000000000-f37e3e7ea486cf6b65ce
Source of Spectrum F-38-1588-0
Synonyms 4-[(5E,7E)-1-formyl-6-(tetrahydropyran-2-yloxymethyl)-3,4-dihydro-2H-azocin-7-yl]-4-keto-2-methyl-butyric acid tert-butyl ester tert-Butyl 4-[(5E,7E)-1-formyl-6-(oxan-2-yloxymethyl)-3,4-dihydro-2H-azocin-7-yl]-2-methyl-4-oxobutanoate tert-Butyl 4-[(5E,7E)-1-formyl-6-(tetrahydropyran-2-yloxymethyl)-3,4-dihydro-2H-azocin-7-yl]-2-methyl-4-oxo-butanoate tert-Butyl 4-[(5E,7E)-1-methanoyl-6-(oxan-2-yloxymethyl)-3,4-dihydro-2H-azocin-7-yl]-2-methyl-4-oxidanylidene-butanoate
Wiley ID 1378316