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3-Azocinebutanoic acid, 1,6,7,8-tetrahydro-.alpha.-methyl-.gamma.-oxo-4-[[(tetrahydro-2H-pyra n-2-yl)oxy]methyl]-, 1,1-dimethylethyl ester
SpectraBase Compound ID 2mOzqS7Xjbb
InChI InChI=1S/C22H35NO5/c1-16(21(25)28-22(2,3)4)13-19(24)18-14-23-11-7-5-9-17(18)15-27-20-10-6-8-12-26-20/h9,14,16,20,23H,5-8,10-13,15H2,1-4H3/b17-9-,18-14+
InChIKey MIPIMAMBHDDXLB-HJMXTJEFSA-N
Mol Weight 393.5 g/mol
Molecular Formula C22H35NO5
Exact Mass 393.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Iyo12dQ3jf
Name 3-Azocinebutanoic acid, 1,6,7,8-tetrahydro-.alpha.-methyl-.gamma.-oxo-4-[[(tetrahydro-2H-pyra n-2-yl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Registry Number 83253-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35NO5
InChI InChI=1S/C22H35NO5/c1-16(21(25)28-22(2,3)4)13-19(24)18-14-23-11-7-5-9-17(18)15-27-20-10-6-8-12-26-20/h9,14,16,20,23H,5-8,10-13,15H2,1-4H3/b17-9-,18-14+
InChIKey MIPIMAMBHDDXLB-HJMXTJEFSA-N
Molecular Weight 393.524 g/mol
SMILES N1CCC\C=C/(\C(=C/1)C(CC(C(OC(C)(C)C)=O)C)=O)COC1OCCCC1
SPLASH splash10-0a4i-9000000000-ba5fe7943e4be81da8a1
Source of Spectrum F-38-1589-0
Synonyms 3-[t-butyl 2-methylsuccinoyl]-4-tetrahydropyranyloxymethyl-1,6,7,8-tetrahydroazocine tert-Butyl 2-methyl-4-oxo-4-{4-[(tetrahydro-2H-pyran-2-yloxy)methyl]-1,6,7,8-tetrahydro-3-azocinyl}butanoate
Wiley ID 1366298