Debug Info

object
{15}
_id
:
9cyMFsSHtOV
spectrumID
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9cyMFsSHtOV
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSR3X:5586:1
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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spectralOutlier
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compound
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1735074081058
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Acetic acid sec-butyl ester
SpectraBase Compound ID GrSYXLNfLwI
InChI InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
InChIKey DCKVNWZUADLDEH-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cyMFsSHtOV
Name sec-Butyl Acetate
Comments MONAID: JP005831
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
InChIKey DCKVNWZUADLDEH-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 116.160 g/mol
SMILES CCC(C)OC(C)=O
SPLASH splash10-0006-9000000000-7c966f255ce2cd654d63
Source of Spectrum SRH-2022-5831-0
Wiley ID 1827834
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