Debug Info

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_id
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JJ7FRqLGPfU
spectrumID
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JJ7FRqLGPfU
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Mass Spectrum (GC)
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Isopropanol
SpectraBase Compound ID 8Ro8UyUNHr6
InChI InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey KFZMGEQAYNKOFK-UHFFFAOYSA-N
Mol Weight 60.1 g/mol
Molecular Formula C3H8O
Exact Mass 60.057515 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ7FRqLGPfU
Name Isopropanol
CAS Registry Number 67-63-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 60.057514877 u
Formula C3H8O
InChI InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey KFZMGEQAYNKOFK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 60.096 g/mol
Nominal Mass 60 u
Quality 875
Retention Index 393
SMILES OC(C)C
SPLASH splash10-0002-9000000000-dfab6e94ec67022189e5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Dimethyl carbinol Isopropyl alcohol Secondary propyl alcohol Propan-2-ol
Technique GC/MS
Wiley ID DD2024_019116
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