Debug Info

object
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_id
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HhuNFBwcaYe
spectrumID
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HhuNFBwcaYe
cost
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specType
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131072
xnmrNucleus
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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spectralOutlier
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compound
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8-Acetyl-5,5-dimethyl-4-oxo-non-8-enoic acid, methyl ester
SpectraBase Compound ID AuRDq8vxzLb
InChI InChI=1S/C14H22O4/c1-10(11(2)15)8-9-14(3,4)12(16)6-7-13(17)18-5/h1,6-9H2,2-5H3
InChIKey SMYZUVCCZUGCBR-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhuNFBwcaYe
Name 8-ACETYL-5,5-DIMETHYL-4-OXONON-8-ENOIC ACID, METHYL ESTER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-10(11(2)15)8-9-14(3,4)12(16)6-7-13(17)18-5/h1,6-9H2,2-5H3
InChIKey SMYZUVCCZUGCBR-UHFFFAOYSA-N
Molecular Weight 254.1512
SMILES COC(=O)CCC(C(CCC(C(C)=O)=C)(C)C)=O
SPLASH splash10-00kf-7900000000-5162a0877dda09b34a5f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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