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2-Fluoro-8-hydroxy-1,5-dimethyl-8-[4-(methoxycarbonyl-3-methyl)butadien-1-yl]-7-oxatricyclo[3.2.1]octan-3-one
SpectraBase Compound ID 58xVoEbmXMa
InChI InChI=1S/C16H21FO5/c1-10(7-12(19)21-4)5-6-16(20)14(2)8-11(18)13(17)15(16,3)22-9-14/h5-7,13,20H,8-9H2,1-4H3/b6-5-,10-7+/t13-,14+,15+,16?/m0/s1
InChIKey ISRZAKTVXNZIHZ-NHVJWGJPSA-N
Mol Weight 312.34 g/mol
Molecular Formula C16H21FO5
Exact Mass 312.137302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnToFrp6yhV
Name 2-Fluoro-8-hydroxy-1,5-dimethyl-8-[4-(methoxycarbonyl-3-methyl)butadien-1-yl]-7-oxatricyclo[3.2.1]octan-3-one
Alternate Name(s) Methyl (2E,4Z)-5-(4-fluoro-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21FO5
InChI InChI=1S/C16H21FO5/c1-10(7-12(19)21-4)5-6-16(20)14(2)8-11(18)13(17)15(16,3)22-9-14/h5-7,13,20H,8-9H2,1-4H3/b6-5-,10-7+/t13-,14+,15+,16?/m0/s1
InChIKey ISRZAKTVXNZIHZ-NHVJWGJPSA-N
Molecular Weight 312.337 g/mol
SMILES OC1([C@]2([C@](C(C[C@]1(C)CO2)=O)(F)[H])C)\C=C/C(=C/C(=O)OC)C
SPLASH splash10-01t9-0921000000-90a3ef41b5f7b16d6d7d
Source of Spectrum F-51-6923-9
Wiley ID 792149