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2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-yl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

View entire compound with spectra: 4 MS (GC)

2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-yl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
SpectraBase Compound ID BIF5gJwBTgm
InChI InChI=1S/C23H32O5/c1-14(24)8-9-16-15(2)17(10-11-20(16,3)4)27-19(26)23-13-12-22(7,18(25)28-23)21(23,5)6/h8-9,17H,10-13H2,1-7H3/b9-8+/t17?,22-,23+/m1/s1
InChIKey CQAOPPLKJMQKAQ-HBQNCFHYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fz0aKhNFzJM
Name 2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-yl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Alternate Name(s) 4-[(Camphanoyl)oxy]-.beta.-ionone 4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, 2,4,4-trimethyl-3-(3-oxo-but-1-enyl)-cyclohex-2-enyl ester 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid [2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enyl] ester [2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-yl] 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate [2,4,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-yl] 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate
CAS Registry Number 71596-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-14(24)8-9-16-15(2)17(10-11-20(16,3)4)27-19(26)23-13-12-22(7,18(25)28-23)21(23,5)6/h8-9,17H,10-13H2,1-7H3/b9-8+/t17?,22-,23+/m1/s1
InChIKey CQAOPPLKJMQKAQ-HBQNCFHYSA-N
Molecular Weight 388.504 g/mol
SMILES [C@]12(OC(=O)[C@@](C2(C)C)(C)CC1)C(OC1C(=C(\C=C\C(=O)C)C(CC1)(C)C)C)=O
SPLASH splash10-0006-9602000000-5dd16c9d2ffabe636c15
Source of Spectrum X2-51-951-5
Wiley ID 1602820