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6'-Benzylmenthyl 3-oxobutyrate
SpectraBase Compound ID KdFRo5GW8gF
InChI InChI=1S/C20H26O3/c1-13(21)9-18(22)23-19-15(10-14-7-5-4-6-8-14)11-16-12-17(19)20(16,2)3/h4-8,15-17,19H,9-12H2,1-3H3/t15-,16+,17+,19-/m1/s1
InChIKey IQVPTAGOUAELEE-VUHPKUFZSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATDFN3wyH8K
Name 6'-Benzylmenthyl 3-oxobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-13(21)9-18(22)23-19-15(10-14-7-5-4-6-8-14)11-16-12-17(19)20(16,2)3/h4-8,15-17,19H,9-12H2,1-3H3/t15-,16+,17+,19-/m1/s1
InChIKey IQVPTAGOUAELEE-VUHPKUFZSA-N
Molecular Weight 314.425 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(C[C@]([C@]1(OC(CC(=O)C)=O)[H])(Cc1ccccc1)[H])[H])[H]
SPLASH splash10-006x-9430000000-4e59a5e56ba2982b5d10
Source of Spectrum SK-30-463-7
Synonyms 3-Oxo-butyric acid (2R,3S)-3-benzyl-6,6-dimethyl-bicyclo[3.1.1]hept-2-yl ester
Wiley ID 881006