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Tert-Butyl N-tosyl-[(5E,7E)-8-iodoocta-5,7-dien-1-yl]-carbamate
SpectraBase Compound ID BPVHSTFItV2
InChI InChI=1S/C20H28INO4S/c1-17-11-13-18(14-12-17)27(24,25)22(19(23)26-20(2,3)4)16-10-8-6-5-7-9-15-21/h5,7,9,11-15H,6,8,10,16H2,1-4H3/b7-5+,15-9+
InChIKey CEHQXDUFHJVSGW-YZBXHJMWSA-N
Mol Weight 505.41 g/mol
Molecular Formula C20H28INO4S
Exact Mass 505.078375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoKVwFORY3f
Name Tert-Butyl N-tosyl-[(5E,7E)-8-iodoocta-5,7-dien-1-yl]-carbamate
Alternate Name(s) tert-Butyl ((5E,7E)-8-iodoocta-5,7-dien-1-yl)(tosyl)carbamate
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Formula C20H28INO4S
InChI InChI=1S/C20H28INO4S/c1-17-11-13-18(14-12-17)27(24,25)22(19(23)26-20(2,3)4)16-10-8-6-5-7-9-15-21/h5,7,9,11-15H,6,8,10,16H2,1-4H3/b7-5+,15-9+
InChIKey CEHQXDUFHJVSGW-YZBXHJMWSA-N
Literature Reference DOI 10.1021/ol302719e
Molecular Weight 505.411 g/mol
SMILES C(OC(=O)N(S(c1ccc(cc1)C)(=O)=O)CCCC\C=C\C=C\I)(C)(C)C
SPLASH splash10-0khc-5970000000-600ec53f6878ab0896c1
Source of Spectrum A1-14-5594/SMS15-1d
Wiley ID 1750711