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object
{15}
_id
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DE7EFtJfqpY
spectrumID
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DE7EFtJfqpY
cost
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1
specType
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131072
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dbLocation
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WMSL3X:91579:1
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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spectralOutlier
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compound
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1735074081058
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Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-1,3- pentadienyl)-, [4R*(E),4aR*,7E,11aS*]-(+)-
SpectraBase Compound ID 5Q7zl2rvoj1
InChI InChI=1S/C20H28O2/c1-14(2)7-5-10-18-17-12-11-15(3)8-6-9-16(4)19(17)13-22-20(18)21/h5,7-8,10,14,17,19H,4,6,9,11-13H2,1-3H3/b7-5+,15-8-,18-10-
InChIKey JIMPLIPTKQIYKW-IPXMZJMNSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DE7EFtJfqpY
Name Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-1,3- pentadienyl)-, [4R*(E),4aR*,7E,11aS*]-(+)-
CAS Registry Number 80433-13-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14(2)7-5-10-18-17-12-11-15(3)8-6-9-16(4)19(17)13-22-20(18)21/h5,7-8,10,14,17,19H,4,6,9,11-13H2,1-3H3/b7-5+,15-8-,18-10-
InChIKey JIMPLIPTKQIYKW-IPXMZJMNSA-N
Molecular Weight 300.442 g/mol
SMILES C1(\C(C2C(C(CC\C=C/(CC2)C)=C)CO1)=C/C=C/C(C)C)=O
SPLASH splash10-0udi-0039000000-396e6834667896c31d02
Source of Spectrum F-37-2730-0
Synonyms (4Z)-7-methyl-11-methylene-4-[(2E)-4-methyl-2-pentenylidene]-4,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-3(1H)-one Coraxeniolide D
Wiley ID 1303340