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[(1SR)-Benzyloxycarbonylamino-5-hydroxy-2-iodo-(4R)-methylpent-(2Z)-enyl]benzoic acid methyl ester
SpectraBase Compound ID BxxF6EPBAnc
InChI InChI=1S/C22H24INO5/c1-15(13-25)12-19(23)20(17-8-10-18(11-9-17)21(26)28-2)24-22(27)29-14-16-6-4-3-5-7-16/h3-12,15,20,25H,13-14H2,1-2H3,(H,24,27)/b19-12-/t15-,20?/m1/s1
InChIKey SDQJFCLMHWVMFZ-KMBUEMFNSA-N
Mol Weight 509.34 g/mol
Molecular Formula C22H24INO5
Exact Mass 509.069918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNeV7UujvmO
Name [(1SR)-Benzyloxycarbonylamino-5-hydroxy-2-iodo-(4R)-methylpent-(2Z)-enyl]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24INO5
InChI InChI=1S/C22H24INO5/c1-15(13-25)12-19(23)20(17-8-10-18(11-9-17)21(26)28-2)24-22(27)29-14-16-6-4-3-5-7-16/h3-12,15,20,25H,13-14H2,1-2H3,(H,24,27)/b19-12-/t15-,20?/m1/s1
InChIKey SDQJFCLMHWVMFZ-KMBUEMFNSA-N
Literature Reference DOI 10.1002/adsc.200505171
Molecular Weight 509.340 g/mol
SMILES N(C(\C(=C\[C@](CO)(C)[H])I)c1ccc(C(OC)=O)cc1)C(=O)OCc1ccccc1
SPLASH splash10-0006-9211000000-d95773b97d62d70643ba
Source of Spectrum ASC-347-1605/SM19-13
Synonyms Methyl 4-((4R,Z)-1-(((benzyloxy)carbonyl)amino)-5-hydroxy-2-iodo-4-methylpent-2-en-1-yl)benzoate
Wiley ID 1767719