Debug Info

object
{15}
_id
:
3QNhmWBSTvH
spectrumID
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3QNhmWBSTvH
cost
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specType
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131072
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dbLocation
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MS (GC)
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Mass Spectrum (GC)
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compound
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4-Cyanobutanoic acid
SpectraBase Compound ID 7F7gj4LyYB
InChI InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)
InChIKey YXBVMSQDRLXPQV-UHFFFAOYSA-N
Mol Weight 113.12 g/mol
Molecular Formula C5H7NO2
Exact Mass 113.047678 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QNhmWBSTvH
Name 4-Cyanobutanoic acid
CAS Registry Number 39201-33-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7NO2
InChI InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)
InChIKey YXBVMSQDRLXPQV-UHFFFAOYSA-N
Molecular Weight 113.116 g/mol
SMILES OC(CCCC#N)=O
SPLASH splash10-0j4j-9000000000-10cb7204516a2d4985e9
Source of Spectrum J-63-4799-0
Synonyms 4-cyanobutyric acid
Wiley ID 1123832
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