Debug Info

object
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_id
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Ajy57r7wlav
spectrumID
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Ajy57r7wlav
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specType
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Mass Spectrum (GC)
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P-cresol
SpectraBase Compound ID GdL6yfW8Yo5
InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey IWDCLRJOBJJRNH-UHFFFAOYSA-N
Mol Weight 108.14 g/mol
Molecular Formula C7H8O
Exact Mass 108.057515 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ajy57r7wlav
Name Cresol
CAS Registry Number 106-44-5
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 108.057514877 u
Formula C7H8O
InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey IWDCLRJOBJJRNH-UHFFFAOYSA-N
Molecular Weight 108.140 g/mol
Number of Peaks 49
RI1 1072
RI2 745
SMILES Oc1ccc(cc1)C
SPLASH splash10-0a4i-6900000000-0d30c550ec7344ac9455
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 Phenol, 4-methyl-
Wiley ID LM_FFNSC3_968
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