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(8R,9R)-4-(1-Hydroxy[8.9-2H2]hexadec-2-enyl)-2,2-dimethyloxazolodine-3-carboxtylic acid tert-Butyl ester
SpectraBase Compound ID jlf4VLKk0f
InChI InChI=1S/C26H49NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)22-21-30-26(5,6)27(22)24(29)31-25(2,3)4/h19-20,22-23,28H,7-18,21H2,1-6H3/b20-19+/t22-,23+/m0/s1/i15D,16D/t15-,16-,22+,23-/m1
InChIKey YYVXKEWHFAMEKF-BNJQQWBWSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H47D2NO4
Exact Mass 441.378713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AW7ZsqEJeej
Name (8R,9R)-4-(1-Hydroxy[8.9-2H2]hexadec-2-enyl)-2,2-dimethyloxazolodine-3-carboxtylic acid tert-Butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H47D2NO4
InChI InChI=1S/C26H49NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)22-21-30-26(5,6)27(22)24(29)31-25(2,3)4/h19-20,22-23,28H,7-18,21H2,1-6H3/b20-19+/t22-,23+/m0/s1/i15D,16D/t15-,16-,22+,23-/m1
InChIKey YYVXKEWHFAMEKF-BNJQQWBWSA-N
Molecular Weight 441.693 g/mol
SMILES O[C@@]([C@]1(N(C(OC(C)(C)C)=O)C(OC1)(C)C)[H])(\C=C\CC[C@@]([C@]([D])(CCCCCCCCC)[H])([D])[H])[H]
SPLASH splash10-0h36-3947000000-d9a23aa5b0a6a13477da
Source of Spectrum SO-0-2148-9
Synonyms (8R,9R)-4-(1-Hydroxy[8,9-2H2]hexadec-2-enyl)-2,2-dimethyloxazolodine-3-carboxtylic acid tert-Butyl ester
Wiley ID 877166