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4,4-Difluororetinyl acetate (all-trans)
SpectraBase Compound ID 3UqrEKf4F5e
InChI InChI=1S/C22H30F2O2/c1-16(8-7-9-17(2)12-15-26-19(4)25)10-11-20-18(3)22(23,24)14-13-21(20,5)6/h7-12H,13-15H2,1-6H3/b9-7+,11-10+,16-8+,17-12+
InChIKey QPWYWPGVGWTTLD-MJMVFYOHSA-N
Mol Weight 364.48 g/mol
Molecular Formula C22H30F2O2
Exact Mass 364.221387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RWHPJeUUQG
Name 4,4-Difluororetinyl acetate (all-trans)
CAS Registry Number 90660-22-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30F2O2
InChI InChI=1S/C22H30F2O2/c1-16(8-7-9-17(2)12-15-26-19(4)25)10-11-20-18(3)22(23,24)14-13-21(20,5)6/h7-12H,13-15H2,1-6H3/b9-7+,11-10+,16-8+,17-12+
InChIKey QPWYWPGVGWTTLD-MJMVFYOHSA-N
Molecular Weight 364.477 g/mol
SMILES C1CC(C(=C(C1(F)F)C)\C=C\C(=C\C=C\C(=C\COC(C)=O)C)C)(C)C
SPLASH splash10-000y-3923000000-70ca83d17ca31f7be226
Source of Spectrum W5-1989-36201-29335
Synonyms [(2E,4E,6E,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] acetate
Wiley ID 1351006