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(1R',2'S)-(-)-Menthyl 3,6-dihydroxy-2-ethylbenzoate
SpectraBase Compound ID LgqLv3ljQNU
InChI InChI=1S/C19H28O4/c1-5-13-15(20)8-9-16(21)18(13)19(22)23-17-10-12(4)6-7-14(17)11(2)3/h8-9,11-12,14,17,20-21H,5-7,10H2,1-4H3/t12-,14+,17-/m1/s1
InChIKey BTHCYSIDTNDCEN-HACGYAERSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DF9fpqe3kfD
Name (1R',2'S)-(-)-Menthyl 3,6-dihydroxy-2-ethylbenzoate
Alternate Name(s) (1R',2'S)-(-)-Menthyl 3,6-dihydro-2-ethylbenzoate (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-ethyl-3,6-dihydroxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-5-13-15(20)8-9-16(21)18(13)19(22)23-17-10-12(4)6-7-14(17)11(2)3/h8-9,11-12,14,17,20-21H,5-7,10H2,1-4H3/t12-,14+,17-/m1/s1
InChIKey BTHCYSIDTNDCEN-HACGYAERSA-N
Molecular Weight 320.429 g/mol
SMILES Oc1c(c(c(cc1)O)C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)CC
SPLASH splash10-03e9-0900000000-ab28246f29179b4a467a
Source of Spectrum F-54-5374-16
Wiley ID 806842