Debug Info

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719h2it8ujN
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719h2it8ujN
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Isopentylalcohol
SpectraBase Compound ID 5kqafXtBxsG
InChI InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey PHTQWCKDNZKARW-UHFFFAOYSA-N
Mol Weight 88.15 g/mol
Molecular Formula C5H12O
Exact Mass 88.088815 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 719h2it8ujN
Name 1-BUTANOL, 3-METHYL-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 88.088815005 u
Formula C5H12O
InChI InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey PHTQWCKDNZKARW-UHFFFAOYSA-N
Molecular Weight 88.150 g/mol
Nominal Mass 88 u
Number of Peaks 33
SMILES CC(CCO)C
SPLASH splash10-052f-9000000000-aa378a51cdcb60a0cdce
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_000154
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