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1-(4-tert-Butylphenyl)propan-2-one
SpectraBase Compound ID KiCETpFyVr1
InChI InChI=1S/C13H18O/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,9H2,1-4H3
InChIKey HSNJERRVXUNQLS-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIfI0tnDm1w
Name 1-(4-tert-Butylphenyl)propan-2-one
CAS Registry Number 81561-77-5
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,9H2,1-4H3
InChIKey HSNJERRVXUNQLS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 190.286 g/mol
Nominal Mass 190 u
Quality 991
Retention Index 1382
SMILES C=1(C(C)(C)C)C=CC(=CC1)CC(=O)C
SPLASH splash10-000y-3900000000-8131d44bb3d3505b97e4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-tert-butylphenyl)propan-2-one
Technique GC/MS
Wiley ID DD2024_019621