Debug Info

object
{15}
_id
:
9Tg4RXiLvUN
spectrumID
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9Tg4RXiLvUN
cost
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1
specType
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131072
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dbLocation
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WMS3X:342741:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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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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1,4-Dioxan-2-one, 3-(1-hydroxy-3-phenylallyl)-6-isopropyl-3-methyl-
SpectraBase Compound ID 1EiGGljTrvD
InChI InChI=1S/C17H22O4/c1-12(2)14-11-20-17(3,16(19)21-14)15(18)10-9-13-7-5-4-6-8-13/h4-10,12,14-15,18H,11H2,1-3H3/b10-9+
InChIKey LBLYHSUZNMBXLO-MDZDMXLPSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Tg4RXiLvUN
Name 1,4-Dioxan-2-one, 3-(1-hydroxy-3-phenylallyl)-6-isopropyl-3-methyl-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-12(2)14-11-20-17(3,16(19)21-14)15(18)10-9-13-7-5-4-6-8-13/h4-10,12,14-15,18H,11H2,1-3H3/b10-9+
InChIKey LBLYHSUZNMBXLO-MDZDMXLPSA-N
Molecular Weight 290.359 g/mol
SMILES OC(\C=C\c1ccccc1)C1(OCC(OC1=O)C(C)C)C
SPLASH splash10-053r-6900000000-68c56f6aefc0898d81d0
Synonyms 3-[(E)-1-hydroxy-3-phenylprop-2-enyl]-3-methyl-6-propan-2-yl-1,4-dioxan-2-one 3-Methyl-3-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]-6-propan-2-yl-1,4-dioxan-2-one
Wiley ID 1479287
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