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5-Dodecanol, 8-azido-1,12-bis(phenylmethoxy)-, methanesulfonate(ester), [S-(R*,S*)]-
SpectraBase Compound ID 6kazIHrAvtw
InChI InChI=1S/C27H39N3O5S/c1-36(31,32)35-27(17-9-11-21-34-23-25-14-6-3-7-15-25)19-18-26(29-30-28)16-8-10-20-33-22-24-12-4-2-5-13-24/h2-7,12-15,26-27H,8-11,16-23H2,1H3/t26-,27+/m1/s1
InChIKey FICRGLXVVNCSNI-SXOMAYOGSA-N
Mol Weight 517.7 g/mol
Molecular Formula C27H39N3O5S
Exact Mass 517.261043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BopQwxawZ6v
Name 5-Dodecanol, 8-azido-1,12-bis(phenylmethoxy)-, methanesulfonate(ester), [S-(R*,S*)]-
CAS Registry Number 131618-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39N3O5S
InChI InChI=1S/C27H39N3O5S/c1-36(31,32)35-27(17-9-11-21-34-23-25-14-6-3-7-15-25)19-18-26(29-30-28)16-8-10-20-33-22-24-12-4-2-5-13-24/h2-7,12-15,26-27H,8-11,16-23H2,1H3/t26-,27+/m1/s1
InChIKey FICRGLXVVNCSNI-SXOMAYOGSA-N
Molecular Weight 517.685 g/mol
SMILES [C@](OS(=O)(=O)C)(CC[C@](N=[N+]=[N-])(CCCCOCc1ccccc1)[H])(CCCCOCc1ccccc1)[H]
SPLASH splash10-0pb9-0904000000-152e78ec2d1af214dd28
Source of Spectrum J-56-1390-12
Synonyms (1S,4R)-4-azido-8-(benzyloxy)-1-[4-(benzyloxy)butyl]octyl methanesulfonate (5S,8R)-8-azido-1,12-bis(benzyloxy)-5-[(methyl-sulfonyl)oxy]dodecane
Wiley ID 1401551