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2,3,3-Trimethyl-1-indanone
SpectraBase Compound ID 2wA5OSX14LP
InChI InChI=1S/C12H14O/c1-8-11(13)9-6-4-5-7-10(9)12(8,2)3/h4-8H,1-3H3
InChIKey KZSUMHASCAWKLE-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vu3a6N8gcp
Name 2,3,3-Trimethyl-1-indanone
Source of Sample Standard L'Oreal
CAS Registry Number 54440-17-4
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 174.104465070 u
Formula C12H14O
InChI InChI=1S/C12H14O/c1-8-11(13)9-6-4-5-7-10(9)12(8,2)3/h4-8H,1-3H3
InChIKey KZSUMHASCAWKLE-UHFFFAOYSA-N
Molecular Weight 174.243 g/mol
Number of Peaks 50
RI1 1397
RI2 1076
RI3 1355
RI4 1316
SMILES CC1C(c2ccccc2C1(C)C)=O
SPLASH splash10-0a4i-4900000000-0c16dae2585267ddfe16
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 1H-Inden-1-one, 2,3-dihydro-2,3,3-trimethyl-
Wiley ID LM_FFNSC3_3020