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(1R,5R)-5-(TERT.-BUTOXYMETHYL)-8(Z)-(IODOMETHYLENE)-6-OXA-CIS-BICYCLO-[3.3.0]-OCT-3-EN-2-ONE
SpectraBase Compound ID 5inm2DIt5rC
InChI InChI=1S/C13H17IO3/c1-12(2,3)17-8-13-5-4-10(15)11(13)9(6-14)7-16-13/h4-6,11H,7-8H2,1-3H3/b9-6+/t11-,13-/m0/s1
InChIKey FRPQTOGZBABNDO-RMUNVQARSA-N
Mol Weight 348.18 g/mol
Molecular Formula C13H17IO3
Exact Mass 348.022239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoQBUQZhTwB
Name (3Z,3aR,6aR)-3-(iodanylmethylidene)-6a-[(2-methylpropan-2-yl)oxymethyl]-3aH-cyclopenta[b]furan-4-one
Alternate Name(s) (3Z,3aR,6aR)-3-(iodomethylidene)-6a-[(2-methylpropan-2-yl)oxymethyl]-3aH-cyclopenta[b]furan-4-one (3Z,3aR,6aR)-6a-(tert-butoxymethyl)-3-(iodomethylene)-3aH-cyclopenta[b]furan-4-one
CAS Registry Number 126454-61-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17IO3
InChI InChI=1S/C13H17IO3/c1-12(2,3)17-8-13-5-4-10(15)11(13)9(6-14)7-16-13/h4-6,11H,7-8H2,1-3H3/b9-6+/t11-,13-/m0/s1
InChIKey FRPQTOGZBABNDO-RMUNVQARSA-N
Molecular Weight 348.180 g/mol
SMILES [C@@]12([C@@](\C(=C\I)CO2)(C(=O)C=C1)[H])COC(C)(C)C
SPLASH splash10-0a4i-9010000000-32257f464355de3ed99e
Source of Spectrum C-112-3504-17
Wiley ID 1340272