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(4aS,6R,8aS)-4,4,7-Trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho[2,3-b]furan-6-yl (R)-.alpha.-methoxy-.alpha.-(trifluoromethyl)phenylacetiate
SpectraBase Compound ID Axj2jMtotF5
InChI InChI=1S/C25H27F3O4/c1-15-12-16-13-21-18(10-11-31-21)23(2,3)19(16)14-20(15)32-22(29)24(30-4,25(26,27)28)17-8-6-5-7-9-17/h5-12,16,19-20H,13-14H2,1-4H3/t16-,19-,20+,24+/m0/s1
InChIKey VDNSYVGWRPFEJO-MKSPYTNGSA-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 4vTn2mv9crN
Name (4aS,6R,8aS)-4,4,7-Trimethyl-4,4a,5,6,8,8a,9-hexahydronaphtho[2,3-b]furan-6-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/c1-15-12-16-13-21-18(10-11-31-21)23(2,3)19(16)14-20(15)32-22(29)24(30-4,25(26,27)28)17-8-6-5-7-9-17/h5-12,16,19-20H,13-14H2,1-4H3/t16-,19-,20+,24+/m0/s1
InChIKey VDNSYVGWRPFEJO-MKSPYTNGSA-N
Molecular Weight 448.482 g/mol
SMILES [C@@](C(O[C@]1(C(=C[C@@]2([C@@](C(c3ccoc3C2)(C)C)(C1)[H])[H])C)[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-03di-0090000000-1be96f9a80062fb14f81
Source of Spectrum F-50-3887-11
Wiley ID 1387173