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1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4-methyl-, 4-acetate, cis-
SpectraBase Compound ID 1dpKs7J1kcg
InChI InChI=1S/C12H22O4/c1-9(13)16-11(4)5-7-12(15,8-6-11)10(2,3)14/h14-15H,5-8H2,1-4H3/t11-,12+
InChIKey JXMDRIKOVNZMAX-TXEJJXNPSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37xHHZ9ezE9
Name 1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4-methyl-, 4-acetate, cis-
Alternate Name(s) 4-Hydroxy-4-(1-hydroxy-1-methylethyl)-1-methylcyclohexyl acetate
CAS Registry Number 88663-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-9(13)16-11(4)5-7-12(15,8-6-11)10(2,3)14/h14-15H,5-8H2,1-4H3/t11-,12+
InChIKey JXMDRIKOVNZMAX-TXEJJXNPSA-N
Molecular Weight 230.304 g/mol
SMILES OC([C@]1(CC[C@@](CC1)(OC(=O)C)C)O)(C)C
SPLASH splash10-03dl-9600000000-8debbaeb17f04dff2984
Source of Spectrum KC-1983-2476-2
Wiley ID 1231638