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(2S,4.xi.)-3-Benzoyl-2-(tert-butyl)-4-(13-hydroxytridecyl)-5-oxazolidine
SpectraBase Compound ID IY5xSByZNtI
InChI InChI=1S/C27H43NO4/c1-27(2,3)26-28(24(30)22-18-14-13-15-19-22)23(25(31)32-26)20-16-11-9-7-5-4-6-8-10-12-17-21-29/h13-15,18-19,23,26,29H,4-12,16-17,20-21H2,1-3H3/t23-,26-/m0/s1
InChIKey XBHUPAQOYLLNBJ-OZXSUGGESA-N
Mol Weight 445.6 g/mol
Molecular Formula C27H43NO4
Exact Mass 445.319209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BKvKnnaSSw
Name (2S,4.xi.)-3-Benzoyl-2-(tert-butyl)-4-(13-hydroxytridecyl)-5-oxazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO4
InChI InChI=1S/C27H43NO4/c1-27(2,3)26-28(24(30)22-18-14-13-15-19-22)23(25(31)32-26)20-16-11-9-7-5-4-6-8-10-12-17-21-29/h13-15,18-19,23,26,29H,4-12,16-17,20-21H2,1-3H3/t23-,26-/m0/s1
InChIKey XBHUPAQOYLLNBJ-OZXSUGGESA-N
Molecular Weight 445.644 g/mol
SMILES OCCCCCCCCCCCCC[C@]1(C(=O)O[C@](N1C(=O)c1ccccc1)(C(C)(C)C)[H])[H]
SPLASH splash10-0a4i-0901200000-c3ebeed0b973159bfe5a
Source of Spectrum QF-9-4184-9
Wiley ID 1558819