Debug Info

object
{15}
_id
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Ipruawv9mDR
spectrumID
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Ipruawv9mDR
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:286646:1
hasStructureAssignments
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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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1735074081058
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(+-)-cis/trans-Nortaylorione ethylene acetal {(1'S)-cis-2-[2',2'-dimethyl-3'-(3"-oxobutyl)cyclopropyl]cyclopent-2-en-1-one ethylene acetal}
SpectraBase Compound ID 7cFI46QJEES
InChI InChI=1S/C16H24O3/c1-11(17)6-7-12-14(15(12,2)3)13-5-4-8-16(13)18-9-10-19-16/h5,12,14H,4,6-10H2,1-3H3/t12-,14-/m1/s1
InChIKey AVDCUJFHIJOLGD-TZMCWYRMSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ipruawv9mDR
Name (+-)-cis/trans-Nortaylorione ethylene acetal {(1'S)-cis-2-[2',2'-dimethyl-3'-(3"-oxobutyl)cyclopropyl]cyclopent-2-en-1-one ethylene acetal}
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-11(17)6-7-12-14(15(12,2)3)13-5-4-8-16(13)18-9-10-19-16/h5,12,14H,4,6-10H2,1-3H3/t12-,14-/m1/s1
InChIKey AVDCUJFHIJOLGD-TZMCWYRMSA-N
Molecular Weight 264.365 g/mol
SMILES C1([C@@](C=2C3(OCCO3)CCC2)([C@]1(CCC(=O)C)[H])[H])(C)C
SPLASH splash10-000i-9000000000-d7c89943d73386c1f95a
Source of Spectrum QC-8-1838-5
Wiley ID 869935
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