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(7S,8R)-2-ethoxcarbonyl-7,8-(isopropylidenedioxy)bicyclo[3.3.0]oct-2-en-6-one

View entire compound with spectra: 1 MS (GC)

(7S,8R)-2-ethoxcarbonyl-7,8-(isopropylidenedioxy)bicyclo[3.3.0]oct-2-en-6-one
SpectraBase Compound ID KPzzZuddfM
InChI InChI=1S/C14H18O5/c1-4-17-13(16)8-6-5-7-9(8)11-12(10(7)15)19-14(2,3)18-11/h6-7,9,11-12H,4-5H2,1-3H3/t7?,9?,11-,12-/m1/s1
InChIKey CIHHKBUSECJZRA-OOTKCHAASA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4b10ywXVLhC
Name (7S,8R)-2-ethoxcarbonyl-7,8-(isopropylidenedioxy)bicyclo[3.3.0]oct-2-en-6-one
Alternate Name(s) Ethyl (3aR,7aS)-2,2-dimethyl-7-oxo-3a,3b,6,6a,7,7a-hexahydropentaleno[1,2-d][1,3]dioxole-4-carboxylate
CAS Registry Number 122047-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-4-17-13(16)8-6-5-7-9(8)11-12(10(7)15)19-14(2,3)18-11/h6-7,9,11-12H,4-5H2,1-3H3/t7?,9?,11-,12-/m1/s1
InChIKey CIHHKBUSECJZRA-OOTKCHAASA-N
Molecular Weight 266.293 g/mol
SMILES [C@]12([C@@](C3C(C(=O)OCC)=CCC3C2=O)(OC(O1)(C)C)[H])[H]
SPLASH splash10-0ug0-9840000000-3d558f8971fc0db87743
Source of Spectrum C-111-6705-37
Wiley ID 1269859