Debug Info

object
{15}
_id
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1OhaGweUpeK
spectrumID
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1OhaGweUpeK
cost
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1
specType
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131072
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dbLocation
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WMS3X:394944:1
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)
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compound
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3,4-Seco-Trachylobanoic Acid - Methyl Ester
SpectraBase Compound ID HsXcjweWgdb
InChI InChI=1S/C21H32O2/c1-13(2)14-6-9-21-11-16-15(20(16,4)12-21)10-17(21)19(14,3)8-7-18(22)23-5/h14-17H,1,6-12H2,2-5H3
InChIKey MPBHKLGEOJDYPD-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OhaGweUpeK
Name 3,4-Seco-Trachylobanoic Acid - Methyl Ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(2)14-6-9-21-11-16-15(20(16,4)12-21)10-17(21)19(14,3)8-7-18(22)23-5/h14-17H,1,6-12H2,2-5H3
InChIKey MPBHKLGEOJDYPD-UHFFFAOYSA-N
Molecular Weight 316.485 g/mol
SMILES C12(C3CC4(C2)C(C(CCC(=O)OC)(C)C(CC4)C(=C)C)CC13)C
SPLASH splash10-0a4l-3900000000-1ad4118bb7a65e2396d9
Source of Spectrum X2-54-1632-6
Wiley ID 1604275
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