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2-Propenal, 3-[3-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, (E)-
SpectraBase Compound ID HMy2rQoVonY
InChI InChI=1S/C14H20O3/c1-10-12(6-5-9-15)14(3,4)8-7-13(10)17-11(2)16/h5-6,9,13H,7-8H2,1-4H3/b6-5+
InChIKey AVPFNBVYCVQQKG-AATRIKPKSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKIJZzlHlF8
Name 2-Propenal, 3-[3-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, (E)-
Alternate Name(s) 2,4,4-trimethyl-3-[(1E)-3-oxo-1-propenyl]-2-cyclohexen-1-yl acetate 3-(3'-Acetoxy-2',6',6'-trimethylcyclohex-1'-en-1'-yl)propenal
CAS Registry Number 54345-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-10-12(6-5-9-15)14(3,4)8-7-13(10)17-11(2)16/h5-6,9,13H,7-8H2,1-4H3/b6-5+
InChIKey AVPFNBVYCVQQKG-AATRIKPKSA-N
Molecular Weight 236.311 g/mol
SMILES C1(=C(C(OC(=O)C)CCC1(C)C)C)\C=C\C=O
SPLASH splash10-052f-9600000000-3259a76c7024ca45027b
Source of Spectrum H-57-1110-27
Wiley ID 1238329