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(1R,5R,7S,8Z)-5-(ACETOXYMETHYL)-8(Z)-(IODOMETHYLENE)-7-TERT.-BUTOXY-6-OXA-CIS-BICYCLO-[3.3.0]-OCT-3-EN-2-ONE
SpectraBase Compound ID wv2h3tfH7R
InChI InChI=1S/C15H19IO5/c1-9(17)19-8-15-6-5-11(18)12(15)10(7-16)13(21-15)20-14(2,3)4/h5-7,12-13H,8H2,1-4H3/b10-7-/t12-,13-,15-/m0/s1
InChIKey OXAVYLJKICOPKE-JEPYRBKMSA-N
Mol Weight 406.22 g/mol
Molecular Formula C15H19IO5
Exact Mass 406.027719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HxQQ5c2ybt
Name ((1R,5R,7S)-5-(acetoxymethyl)-8(Z)-(iodomethlene)-7-tert-butoxy-6-oxa-cis-bicyclo[3.3.0]oct-3-en-2-one
CAS Registry Number 116048-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19IO5
InChI InChI=1S/C15H19IO5/c1-9(17)19-8-15-6-5-11(18)12(15)10(7-16)13(21-15)20-14(2,3)4/h5-7,12-13H,8H2,1-4H3/b10-7-/t12-,13-,15-/m0/s1
InChIKey OXAVYLJKICOPKE-JEPYRBKMSA-N
Molecular Weight 406.216 g/mol
SMILES [C@]1(\C([C@@]2([C@](O1)(C=CC2=O)COC(=O)C)[H])=C/I)(OC(C)(C)C)[H]
SPLASH splash10-01qd-0955000000-0ce5ea0d28b364ede170
Source of Spectrum C-112-3504-40
Synonyms [(2S,3Z,3aR,6aR)-2-tert-butoxy-3-(iodomethylene)-4-oxo-2,3,3a,4-tetrahydro-6aH-cyclopenta[b]furan-6a-yl]methyl acetate
Wiley ID 1371917