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S-2,2-Dimethyl-1- (6-phenylpyridin-2-yl)propyl camphanate
SpectraBase Compound ID IKPMpGQyqEO
InChI InChI=1S/C26H31NO4/c1-23(2,3)20(19-14-10-13-18(27-19)17-11-8-7-9-12-17)30-22(29)26-16-15-25(6,21(28)31-26)24(26,4)5/h7-14,20H,15-16H2,1-6H3/t20?,25?,26-/m1/s1
InChIKey TUYFBXXOJUWGHD-NSBKXYHSSA-N
Mol Weight 421.54 g/mol
Molecular Formula C26H31NO4
Exact Mass 421.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTkkVtHcycH
Name S-2,2-Dimethyl-1- (6-phenylpyridin-2-yl)propyl camphanate
Alternate Name(s) 2,2-Dimethyl-1-(6-phenyl-2-pyridinyl)propyl (1S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CAS Registry Number 139163-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NO4
InChI InChI=1S/C26H31NO4/c1-23(2,3)20(19-14-10-13-18(27-19)17-11-8-7-9-12-17)30-22(29)26-16-15-25(6,21(28)31-26)24(26,4)5/h7-14,20H,15-16H2,1-6H3/t20?,25?,26-/m1/s1
InChIKey TUYFBXXOJUWGHD-NSBKXYHSSA-N
Molecular Weight 421.537 g/mol
SMILES [C@@]12(OC(=O)C(C2(C)C)(C)CC1)C(OC(c1nc(-c2ccccc2)ccc1)C(C)(C)C)=O
SPLASH splash10-001i-0900000000-d81c9d7088d29a9bdcc1
Source of Spectrum K-125-1181-0
Wiley ID 1378353