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Methyl 2-(1',3',3'-trimethyl-2'-oxocyclohexyl)-4-hydroxy-5-isopropylbenzoate
SpectraBase Compound ID IMuH0Z8tdiA
InChI InChI=1S/C20H28O4/c1-12(2)13-10-14(17(22)24-6)15(11-16(13)21)20(5)9-7-8-19(3,4)18(20)23/h10-12,21H,7-9H2,1-6H3
InChIKey DCSRPWULRDFDDO-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQ04bt9bTxI
Name Methyl 2-(1',3',3'-trimethyl-2'-oxocyclohexyl)-4-hydroxy-5-isopropylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-12(2)13-10-14(17(22)24-6)15(11-16(13)21)20(5)9-7-8-19(3,4)18(20)23/h10-12,21H,7-9H2,1-6H3
InChIKey DCSRPWULRDFDDO-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES Oc1c(C(C)C)cc(c(C2(C(C(C)(C)CCC2)=O)C)c1)C(=O)OC
SPLASH splash10-06si-3692000000-7eea6b723a495860b3c6
Source of Spectrum X2-47-987-4
Synonyms Methyl 4-hydroxy-5-isopropyl-2-(1,3,3-trimethyl-2-oxocyclohexyl)benzoate
Wiley ID 1601610