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1,2,6-Piperidinetricarboxylic acid, 4-oxo-, 2,6-bis(1,1-dimethylethyl) 1-(phenylmethyl) ester, cis-
SpectraBase Compound ID 5wlNcv7sRNm
InChI InChI=1S/C23H31NO7/c1-22(2,3)30-19(26)17-12-16(25)13-18(20(27)31-23(4,5)6)24(17)21(28)29-14-15-10-8-7-9-11-15/h7-11,17-18H,12-14H2,1-6H3/t17-,18+
InChIKey RHNVPNZRTBQVCV-HDICACEKSA-N
Mol Weight 433.5 g/mol
Molecular Formula C23H31NO7
Exact Mass 433.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLOsCaQz0Uq
Name 1,2,6-Piperidinetricarboxylic acid, 4-oxo-, 2,6-bis(1,1-dimethylethyl) 1-(phenylmethyl) ester, cis-
CAS Registry Number 59234-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO7
InChI InChI=1S/C23H31NO7/c1-22(2,3)30-19(26)17-12-16(25)13-18(20(27)31-23(4,5)6)24(17)21(28)29-14-15-10-8-7-9-11-15/h7-11,17-18H,12-14H2,1-6H3/t17-,18+
InChIKey RHNVPNZRTBQVCV-HDICACEKSA-N
Molecular Weight 433.501 g/mol
SMILES [C@]1(N([C@](CC(C1)=O)(C(OC(C)(C)C)=O)[H])C(OCc1ccccc1)=O)(C(OC(C)(C)C)=O)[H]
SPLASH splash10-0006-9030000000-3910548c949c905373aa
Source of Spectrum H-59-640-48
Synonyms 1-Benzyl 2,6-ditert-butyl (2R,6S)-4-oxo-1,2,6-piperidinetricarboxylate Di-t-butylester of N-benzyloxycarbonyl-4-oxo-2,6-cis-piperidindicarbonic acid
Wiley ID 1382660