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Methyl (2S)-2-{[(9H-Fluorenyl-9-ylmethyloxy)carbonyl]amino}-4-(4-iodo-1,3-benzoxazol-2-yl)butanoate
SpectraBase Compound ID 1TKmonZqp0h
InChI InChI=1S/C27H23IN2O5/c1-33-26(31)22(13-14-24-30-25-21(28)11-6-12-23(25)35-24)29-27(32)34-15-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-12,20,22H,13-15H2,1H3,(H,29,32)
InChIKey NHHNVJUDAWBQTQ-UHFFFAOYSA-N
Mol Weight 582.39 g/mol
Molecular Formula C27H23IN2O5
Exact Mass 582.065167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZaEhtOJclg
Name Methyl (2S)-2-{[(9H-Fluorenyl-9-ylmethyloxy)carbonyl]amino}-4-(4-iodo-1,3-benzoxazol-2-yl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23IN2O5
InChI InChI=1S/C27H23IN2O5/c1-33-26(31)22(13-14-24-30-25-21(28)11-6-12-23(25)35-24)29-27(32)34-15-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-12,20,22H,13-15H2,1H3,(H,29,32)
InChIKey NHHNVJUDAWBQTQ-UHFFFAOYSA-N
Molecular Weight 582.394 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)C(C(=O)OC)CCc1nc2c(cccc2I)o1
SPLASH splash10-0h6r-0649110000-504fe54083f525d61fc8
Source of Spectrum J-67-4889-7
Wiley ID 1570330