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8'-(Phenylmenthyl) 4,4,4-trichloro-3-hydroxy-2-methylenebutanoate
SpectraBase Compound ID 6yDplnHybTS
InChI InChI=1S/C21H27Cl3O3/c1-13-10-11-16(20(3,4)15-8-6-5-7-9-15)17(12-13)27-19(26)14(2)18(25)21(22,23)24/h5-9,13,16-18,25H,2,10-12H2,1,3-4H3/t13-,16+,17+,18?/m0/s1
InChIKey PVJCBZMBSJUEIF-QKARTMHWSA-N
Mol Weight 433.8 g/mol
Molecular Formula C21H27Cl3O3
Exact Mass 432.102578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15NGSPH3I1t
Name 8'-(Phenylmenthyl) 4,4,4-trichloro-3-hydroxy-2-methylenebutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27Cl3O3
InChI InChI=1S/C21H27Cl3O3/c1-13-10-11-16(20(3,4)15-8-6-5-7-9-15)17(12-13)27-19(26)14(2)18(25)21(22,23)24/h5-9,13,16-18,25H,2,10-12H2,1,3-4H3/t13-,16+,17+,18?/m0/s1
InChIKey PVJCBZMBSJUEIF-QKARTMHWSA-N
Molecular Weight 433.803 g/mol
SMILES OC(C(Cl)(Cl)Cl)C(C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@@](C1)(C)[H])[H])[H])=O)=C
SPLASH splash10-014i-1900000000-cffe3642cb7a6336049b
Source of Spectrum SK-23-1221-3
Wiley ID 865519