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(4aS,7R,8aS)-6,9,9-Trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho[2,3-b]furan-7-yl (R)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetiate
SpectraBase Compound ID 87UGs5v7JUw
InChI InChI=1S/C25H27F3O4/c1-15-12-17-13-16-10-11-31-21(16)23(2,3)19(17)14-20(15)32-22(29)24(30-4,25(26,27)28)18-8-6-5-7-9-18/h5-12,17,19-20H,13-14H2,1-4H3/t17-,19-,20+,24+/m0/s1
InChIKey GSOLYCTYHWIYCS-XRFWFDNBSA-N
Mol Weight 448.48 g/mol
Molecular Formula C25H27F3O4
Exact Mass 448.186144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iCjBz2CEP
Name (4aS,7R,8aS)-6,9,9-Trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho[2,3-b]furan-7-yl (R)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetiate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27F3O4
InChI InChI=1S/C25H27F3O4/c1-15-12-17-13-16-10-11-31-21(16)23(2,3)19(17)14-20(15)32-22(29)24(30-4,25(26,27)28)18-8-6-5-7-9-18/h5-12,17,19-20H,13-14H2,1-4H3/t17-,19-,20+,24+/m0/s1
InChIKey GSOLYCTYHWIYCS-XRFWFDNBSA-N
Molecular Weight 448.482 g/mol
SMILES [C@@](C(O[C@]1(C(=C[C@@]2([C@@](C(c3occc3C2)(C)C)(C1)[H])[H])C)[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-03di-0090100000-f003ca47224a51f8c011
Source of Spectrum F-50-3887-13
Wiley ID 1387171