Debug Info

object
{15}
_id
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9JuygUDnD0Q
spectrumID
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9JuygUDnD0Q
cost
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specType
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131072
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WMS3X:313038:1
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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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3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene-1,6(2H)-dicarboxylic acid, octahydro-
SpectraBase Compound ID DmgN050OU1y
InChI InChI=1S/C16H20O4/c17-14(18)12-7-3-10-8-1-6-2-9(13(8)12)11(4-7)16(10,5-6)15(19)20/h6-13H,1-5H2,(H,17,18)(H,19,20)
InChIKey RCBXWFPTFJUEOP-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JuygUDnD0Q
Name 3,5,1,7-[1,2,3,4]Butanetetraylnaphthalene-1,6(2H)-dicarboxylic acid, octahydro-
CAS Registry Number 75314-17-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c17-14(18)12-7-3-10-8-1-6-2-9(13(8)12)11(4-7)16(10,5-6)15(19)20/h6-13H,1-5H2,(H,17,18)(H,19,20)
InChIKey RCBXWFPTFJUEOP-UHFFFAOYSA-N
Molecular Weight 276.332 g/mol
SMILES OC(C1C2C3C4CC1CC1C4(C(O)=O)CC(CC21)C3)=O
SPLASH splash10-001i-5390000000-e3886eb24f6c9d3ba795
Source of Spectrum C-100-910-0
Wiley ID 1280125