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1-(4-Acetoxy-3,5-dimethylphenyl)cycloheptene
SpectraBase Compound ID KRULs2gC23k
InChI InChI=1S/C17H22O2/c1-12-10-16(15-8-6-4-5-7-9-15)11-13(2)17(12)19-14(3)18/h8,10-11H,4-7,9H2,1-3H3
InChIKey XUHVYQJTUHPFBS-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ9b0MjqClS
Name 1-(4-Acetoxy-3,5-dimethylphenyl)cycloheptene
Alternate Name(s) 4-(1-cyclohepten-1-yl)-2,6-dimethylphenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-12-10-16(15-8-6-4-5-7-9-15)11-13(2)17(12)19-14(3)18/h8,10-11H,4-7,9H2,1-3H3
InChIKey XUHVYQJTUHPFBS-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES c1(c(cc(cc1C)C1=CCCCCC1)C)OC(=O)C
SPLASH splash10-014i-0090000000-a390ab40c3d66340c349
Source of Spectrum AT-35-4522-10
Wiley ID 852888