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1-{[3',6'-Dihydro-6'-oxo-2H-pyran-2'-yl]methyl-5-phenylpentyl (.alpha.-R)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate
SpectraBase Compound ID fA3oBijh3d
InChI InChI=1S/C27H29F3O5/c28-27(29,30)25(21-13-5-2-6-14-21)26(32)34-19-33-22(18-23-16-9-17-24(31)35-23)15-8-7-12-20-10-3-1-4-11-20/h1-6,9-11,13-14,17,22-23,25H,7-8,12,15-16,18-19H2/t22-,23?,25?/m1/s1
InChIKey WXFAFNOCTCNBSA-BJYSPHJKSA-N
Mol Weight 490.52 g/mol
Molecular Formula C27H29F3O5
Exact Mass 490.196709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvaSjCDyU3i
Name 1-{[3',6'-Dihydro-6'-oxo-2H-pyran-2'-yl]methyl-5-phenylpentyl (.alpha.-R)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29F3O5
InChI InChI=1S/C27H29F3O5/c28-27(29,30)25(21-13-5-2-6-14-21)26(32)34-19-33-22(18-23-16-9-17-24(31)35-23)15-8-7-12-20-10-3-1-4-11-20/h1-6,9-11,13-14,17,22-23,25H,7-8,12,15-16,18-19H2/t22-,23?,25?/m1/s1
InChIKey WXFAFNOCTCNBSA-BJYSPHJKSA-N
Molecular Weight 490.519 g/mol
SMILES C(C(C(OCO[C@@](CC1OC(=O)C=CC1)(CCCCc1ccccc1)[H])=O)c1ccccc1)(F)(F)F
SPLASH splash10-0006-2910000000-58ae34bbc6acde7c3bf4
Source of Spectrum H-84-3475-1
Wiley ID 847760