Debug Info

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5ibaChDMpud
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5ibaChDMpud
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Isobutyric acid butyl ester
SpectraBase Compound ID C5OqMxLSgpJ
InChI InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey JSLCOZYBKYHZNL-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ibaChDMpud
Name PROPANOIC ACID, 2-METHYL-, BUTYL ESTER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 144.115029753 u
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey JSLCOZYBKYHZNL-UHFFFAOYSA-N
Molecular Weight 144.214 g/mol
Nominal Mass 144 u
Number of Peaks 33
SMILES CC(C)C(OCCCC)=O
SPLASH splash10-059f-9000000000-aeb4b21c2b98a724080f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_000369
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