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3-Cyclohexene-1-acetaldehyde, 4,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [1R-[1.alpha.,5.alpha.(E)]]-
SpectraBase Compound ID 7e5NTKzNOJv
InChI InChI=1S/C15H22O2/c1-11-5-7-13(9-10-16)15(3,4)14(11)8-6-12(2)17/h5-6,8,10,13-14H,7,9H2,1-4H3/b8-6+/t13-,14-/m1/s1
InChIKey RGVUVUAHMMWZAB-RTIZMKJZSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAULsBm0J6b
Name 3-Cyclohexene-1-acetaldehyde, 4,6,6-trimethyl-5-(3-oxo-1-butenyl)-, [1R-[1.alpha.,5.alpha.(E)]]-
CAS Registry Number 123393-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-11-5-7-13(9-10-16)15(3,4)14(11)8-6-12(2)17/h5-6,8,10,13-14H,7,9H2,1-4H3/b8-6+/t13-,14-/m1/s1
InChIKey RGVUVUAHMMWZAB-RTIZMKJZSA-N
Molecular Weight 234.339 g/mol
SMILES [C@]1(C([C@@](CC=O)(CC=C1C)[H])(C)C)(\C=C\C(=O)C)[H]
SPLASH splash10-006x-2900000000-23c6cc8f713c4d06f694
Source of Spectrum Va-0-0-0
Synonyms (1R,5R)-5-(3'-oxobut-1'-enyl)-4,6,6-trimethyl-cyclohex-3-ene-1-acetaldehyde [1R-[1.alpha.,5.alpha.(E)]]- 4,6,6-trimethyl-5-(3-oxo-1-butenyl)- 3-cyclohexene-1-acetaldehyde {(1R,5R)-4,6,6-trimethyl-5-[(1E)-3-oxo-1-butenyl]-3-cyclohexen-1-yl}acetaldehyde
Wiley ID 740462