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2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
SpectraBase Compound ID 1RGkkWW6duJ
InChI InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
InChIKey SGAWOGXMMPSZPB-UHFFFAOYSA-N
Mol Weight 150.22 g/mol
Molecular Formula C10H14O
Exact Mass 150.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4ZjinIYvHi
Name Safranal
Source of Sample SAFC Cat.no. W338907
CAS Registry Number 116-26-7
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 150.104465070 u
Formula C10H14O
InChI InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
InChIKey SGAWOGXMMPSZPB-UHFFFAOYSA-N
Molecular Weight 150.221 g/mol
Number of Peaks 50
RI1 1201
RI2 879
RI3 1030
RI4 986
RI5 1177
SMILES C1(=C(C=CCC1(C)C)C)C=O
SPLASH splash10-0a4l-8900000000-4b974d3da09a10edad6b
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
Wiley ID LM_FFNSC3_377