Debug Info

object
{15}
_id
:
B1Gpts83CC0
spectrumID
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B1Gpts83CC0
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:179501:1
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)
isFullSpectrum
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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(E)-(4S,5S)-2-(4,8-dimethylspiro[4.5]dec-7-en-ylidene-1)propanal
SpectraBase Compound ID AZlH7ySCqP4
InChI InChI=1S/C15H22O/c1-11-6-8-15(9-7-11)13(3)4-5-14(15)12(2)10-16/h6,10,13H,4-5,7-9H2,1-3H3/b14-12+/t13-,15+/m0/s1
InChIKey XCWOOXBXOYZHKC-IJUARFSTSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Gpts83CC0
Name (E)-(4S,5S)-2-(4,8-dimethylspiro[4.5]dec-7-en-ylidene-1)propanal
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-11-6-8-15(9-7-11)13(3)4-5-14(15)12(2)10-16/h6,10,13H,4-5,7-9H2,1-3H3/b14-12+/t13-,15+/m0/s1
InChIKey XCWOOXBXOYZHKC-IJUARFSTSA-N
Literature Reference DOI 10.1002_1099-1026(200009_10)15_5_293
Molecular Weight 218.340 g/mol
SMILES [C@]12(CCC(=CC2)C)[C@](CC\C1=C/(C)C=O)(C)[H]
SPLASH splash10-01p9-1910000000-5548eed6d4df7b49cf99
Source of Spectrum FF-15-297-(1S)_1
Synonyms (10S)-(E)-Acora-3,7(11)-dien-12-al (E)-2-((4S,5S)-4,8-dimethylspiro[4.5]dec-7-en-1-ylidene)propanal
Wiley ID 1775232
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