Debug Info

object
{15}
_id
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gkZZyD3Lc
spectrumID
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gkZZyD3Lc
cost
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1
specType
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131072
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dbLocation
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WMS3X:231455:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1735074081058
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(E)-5-[(1R,2S)-2-hydroxy-1-methyl-6-oxocyclohexyl]-2-pentenoic acid methyl ester
SpectraBase Compound ID 2KmBRyEfgpO
InChI InChI=1S/C13H20O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8,10,14H,4-7,9H2,1-2H3/b8-3+/t10-,13+/m0/s1
InChIKey FPVCXPDQRBWYOP-XPENCIKGSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gkZZyD3Lc
Name (E)-5-[(1R,2S)-2-hydroxy-1-methyl-6-oxocyclohexyl]-2-pentenoic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-13(9-4-3-8-12(16)17-2)10(14)6-5-7-11(13)15/h3,8,10,14H,4-7,9H2,1-2H3/b8-3+/t10-,13+/m0/s1
InChIKey FPVCXPDQRBWYOP-XPENCIKGSA-N
Molecular Weight 240.299 g/mol
SMILES O[C@@]1([C@](C(=O)CCC1)(CC\C=C\C(=O)OC)C)[H]
SPLASH splash10-102i-6900000000-f56281040b5fa3fd7eda
Source of Spectrum QC-17-1659-6
Synonyms (E)-5-[(1R,2S)-2-hydroxy-6-keto-1-methyl-cyclohexyl]pent-2-enoic acid methyl ester Methyl (E)-5-[(1R,2S)-1-methyl-2-oxidanyl-6-oxidanylidene-cyclohexyl]pent-2-enoate Methyl (E)-5-[(1R,2S)-2-hydroxy-1-methyl-6-oxo-cyclohexyl]pent-2-enoate
Wiley ID 1638287
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