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(5S,8R)-8-Azido-1-(benzoyloxy)-5-(methanesulfonyloxy)odecane
SpectraBase Compound ID AJ37ChNMI3e
InChI InChI=1S/C20H31N3O5S/c1-3-4-12-18(22-23-21)14-15-19(28-29(2,25)26)13-8-9-16-27-20(24)17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3/t18-,19+/m1/s1
InChIKey BFVRWJVHZBLUQY-MOPGFXCFSA-N
Mol Weight 425.54 g/mol
Molecular Formula C20H31N3O5S
Exact Mass 425.198442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFb7fDW4HKE
Name (5S,8R)-8-Azido-1-(benzoyloxy)-5-(methanesulfonyloxy)odecane
Alternate Name(s) (5S,8R)-8-azido-5-[(methylsulfonyl)oxy]dodecyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N3O5S
InChI InChI=1S/C20H31N3O5S/c1-3-4-12-18(22-23-21)14-15-19(28-29(2,25)26)13-8-9-16-27-20(24)17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3/t18-,19+/m1/s1
InChIKey BFVRWJVHZBLUQY-MOPGFXCFSA-N
Molecular Weight 425.544 g/mol
SMILES [C@](OS(=O)(=O)C)(CC[C@](N=[N+]=[N-])(CCCC)[H])(CCCCOC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-c8ea7acebbd5d5346578
Source of Spectrum J-57-5188-50
Wiley ID 1379611