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(+)-.alpha.-Methoxy-.alpha.-(trifluoro)methyl phenylacetic acid (4S,5R)-5-Benzyloxy-1,3,4,5,6,8-hexahydro-2,7-benzodioxecin-4-yl ester

View entire compound with spectra: 2 MS (GC)

(+)-.alpha.-Methoxy-.alpha.-(trifluoro)methyl phenylacetic acid (4S,5R)-5-Benzyloxy-1,3,4,5,6,8-hexahydro-2,7-benzodioxecin-4-yl ester
SpectraBase Compound ID IHwyTDtxquw
InChI InChI=1S/C29H29F3O6/c1-34-28(29(30,31)32,24-14-6-3-7-15-24)27(33)38-26-20-36-18-23-13-9-8-12-22(23)17-35-19-25(26)37-16-21-10-4-2-5-11-21/h2-15,25-26H,16-20H2,1H3/t25-,26+,28?/m1/s1
InChIKey VXBKTAZLXCPLIX-OQKNHUCHSA-N
Mol Weight 530.54 g/mol
Molecular Formula C29H29F3O6
Exact Mass 530.191623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lHbQgYSftR
Name (+)-.alpha.-Methoxy-.alpha.-(trifluoro)methyl phenylacetic acid (4S,5R)-5-Benzyloxy-1,3,4,5,6,8-hexahydro-2,7-benzodioxecin-4-yl ester
Alternate Name(s) (-)-.alpha.-Methoxy-.alpha.-(trifluoro)methyl phenylacetic acid (4S,5R)-5-Benzyloxy-1,3,4,5,6,8-hexahydro-2,7-benzodioxecin-4-yl ester (4S,5R)-5-(benzyloxy)-1,3,4,5,6,8-hexahydro-2,7-benzodioxecin-4-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29F3O6
InChI InChI=1S/C29H29F3O6/c1-34-28(29(30,31)32,24-14-6-3-7-15-24)27(33)38-26-20-36-18-23-13-9-8-12-22(23)17-35-19-25(26)37-16-21-10-4-2-5-11-21/h2-15,25-26H,16-20H2,1H3/t25-,26+,28?/m1/s1
InChIKey VXBKTAZLXCPLIX-OQKNHUCHSA-N
Molecular Weight 530.540 g/mol
SMILES C(C(O[C@@]1([C@](OCc2ccccc2)(COCc2c(COC1)cccc2)[H])[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-000i-0900040000-f8bb188143b58aa22f9d
Source of Spectrum F-56-4409-10
Wiley ID 857512