Debug Info

object
{15}
_id
:
FWRKyFkJbs0
spectrumID
:
FWRKyFkJbs0
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:179221:1
hasStructureAssignments
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false
properties
{11}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
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false

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[(1R-(1.alpha.,3a.alpha.,6aS*)]-(+-)-1,2,3,3a,4,6a-hexahydro-1,4,4,6b-tetramethy-6a-[(Z)-2-formylethenyl]pentalene
SpectraBase Compound ID EyBBlM7WsxA
InChI InChI=1S/C15H22O/c1-11-6-7-13-14(3,4)10-12(2)15(11,13)8-5-9-16/h5,8-11,13H,6-7H2,1-4H3/b8-5+/t11-,13+,15-/m1/s1
InChIKey KIKWLDHFSIKNAL-WNFJFBCBSA-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 FWRKyFkJbs0
Name [(1R-(1.alpha.,3a.alpha.,6aS*)]-(+-)-1,2,3,3a,4,6a-hexahydro-1,4,4,6b-tetramethy-6a-[(Z)-2-formylethenyl]pentalene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-11-6-7-13-14(3,4)10-12(2)15(11,13)8-5-9-16/h5,8-11,13H,6-7H2,1-4H3/b8-5+/t11-,13+,15-/m1/s1
InChIKey KIKWLDHFSIKNAL-WNFJFBCBSA-N
Molecular Weight 218.340 g/mol
SMILES [C@@]12(C(=CC([C@@]2(CC[C@]1(C)[H])[H])(C)C)C)\C=C\C=O
SPLASH splash10-0007-9700000000-e29671302cc5d40c0acd
Source of Spectrum J-61-1186-6
Synonyms [(1R-(1alpha,3a alpha,6aS*)]-(+-)-1,2,3,3a,4,6a-hexahydro-1,4,4,6b-tetramethy-6a-[(Z)-2-formylethenyl]pentalene
Wiley ID 1218418
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