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3-[t-Butyl 2-methylsuccinoyl]-4-tetrahydropyranyloxymethyl-1-formyl-4,5-epoxy-1,4,5,6,7,8-hexahydroazocine
SpectraBase Compound ID JtkOotVVBdX
InChI InChI=1S/C23H35NO7/c1-16(12-19(26)31-22(2,3)4)21(27)17-13-24(15-25)10-7-8-18-23(17,30-18)14-29-20-9-5-6-11-28-20/h13,15-16,18,20H,5-12,14H2,1-4H3/b17-13-
InChIKey ZRFNLTLXBCNTIX-LGMDPLHJSA-N
Mol Weight 437.5 g/mol
Molecular Formula C23H35NO7
Exact Mass 437.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWQTo4xQv1
Name 3-[t-Butyl 2-methylsuccinoyl]-4-tetrahydropyranyloxymethyl-1-formyl-4,5-epoxy-1,4,5,6,7,8-hexahydroazocine
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Formula C23H35NO7
InChI InChI=1S/C23H35NO7/c1-16(12-19(26)31-22(2,3)4)21(27)17-13-24(15-25)10-7-8-18-23(17,30-18)14-29-20-9-5-6-11-28-20/h13,15-16,18,20H,5-12,14H2,1-4H3/b17-13-
InChIKey ZRFNLTLXBCNTIX-LGMDPLHJSA-N
Molecular Weight 437.533 g/mol
SMILES C12(\C(C(C(CC(OC(C)(C)C)=O)C)=O)=C/N(C=O)CCCC2O1)COC1OCCCC1
SPLASH splash10-0a4i-9000000000-09199f76eedf41f40f31
Source of Spectrum F-38-1588-0
Synonyms tert-Butyl 4-{4-formyl-1-[(tetrahydro-2H-pyran-2-yloxy)methyl]-9-oxa-4-azabicyclo[6.1.0]non-2-en-2-yl}-3-methyl-4-oxobutanoate
Wiley ID 1383796