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Spiro[1,3-dioxolane-2,9'(3'H)-[1H-3,9a]methano[2]benzoxepin]-1'-one, hexahydro-4'-iodo-6'-(1-methylethenyl)-, [3'S-(3'.alpha.,4'.alpha.,5'a.beta.,6'.beta.,9'a.alpha.)]-
SpectraBase Compound ID BHHWft1wA1u
InChI InChI=1S/C16H21IO4/c1-9(2)10-3-4-16(19-5-6-20-16)15-8-13(21-14(15)18)12(17)7-11(10)15/h10-13H,1,3-8H2,2H3/t10-,11-,12-,13+,15+/m1/s1
InChIKey JTNWZDWWMPXVDT-NTASLKFISA-N
Mol Weight 404.24 g/mol
Molecular Formula C16H21IO4
Exact Mass 404.048454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFtqVWDhCGk
Name Spiro[1,3-dioxolane-2,9'(3'H)-[1H-3,9a]methano[2]benzoxepin]-1'-one, hexahydro-4'-iodo-6'-(1-methylethenyl)-, [3'S-(3'.alpha.,4'.alpha.,5'a.beta.,6'.beta.,9'a.alpha.)]-
Alternate Name(s) (1'R,5'S,6'R,8'R,9'S)-8'-iodo-5'-(prop-1-en-2-yl)-10'-oxaspiro[1,3-dioxolane-2,2'-tricyclo[7.2.1.0(1,6)]dodecane]-11'-one 2,2-Ethylenedioxy-5-(1-methylethenyl)-8-iodo-bicyclo[4.4.0]decane-9,11-lactone
CAS Registry Number 96246-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21IO4
InChI InChI=1S/C16H21IO4/c1-9(2)10-3-4-16(19-5-6-20-16)15-8-13(21-14(15)18)12(17)7-11(10)15/h10-13H,1,3-8H2,2H3/t10-,11-,12-,13+,15+/m1/s1
InChIKey JTNWZDWWMPXVDT-NTASLKFISA-N
Molecular Weight 404.244 g/mol
SMILES [C@@]123C(O[C@@](C3)([C@](I)(C[C@@]1([C@@](C(=C)C)(CCC21OCCO1)[H])[H])[H])[H])=O
SPLASH splash10-0002-9000000000-cb48abdd754acbe3b0a2
Source of Spectrum J-50-1910-15
Wiley ID 1371040