Debug Info

object
{15}
_id
:
LkdNB9GPeX7
spectrumID
:
LkdNB9GPeX7
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:13027:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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SpectraBase Compound ID Drj09VlmRkj
InChI InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
InChIKey WDAXFOBOLVPGLV-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkdNB9GPeX7
Name Isobutyric acid, ethyl ester
CAS Registry Number 97-62-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
InChIKey WDAXFOBOLVPGLV-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
SMILES CCOC(=O)C(C)C
SPLASH splash10-002f-9000000000-1d857487ef735046a29f
Source of Spectrum HE-1982-0-0
Synonyms Propanoic acid, 2-methyl-, ethyl ester 2-Methylpropanoic acid ethyl ester 2-Methylpropionic acid ethyl ester Ethyl 2,2-dimethylacetate Ethyl 2-methylpropanoate Ethyl 2-methylpropionate Ethyl ester of 2-methyl-propanoic acid Ethyl iso-butyrate Ethyl isobutanoate Propionic acid, 2-methyl-, ethyl ester AI3-06121 BRN 0773846 EINECS 202-595-4 FEMA NO. 2428 NSC 97194 UN2385
Wiley ID 1125507