Debug Info

object
{15}
_id
:
3CVAHIDyYy
spectrumID
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3CVAHIDyYy
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:193635:1
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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1735074081058
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Ethyl (4aS*,8S*,8aS*)-1-oxo-3,4,4a,7,8,8a-hexahydro-1Hisochromene-8-carboxylate
SpectraBase Compound ID DAd47U4Bf5X
InChI InChI=1S/C12H16O4/c1-2-15-11(13)9-5-3-4-8-6-7-16-12(14)10(8)9/h3-4,8-10H,2,5-7H2,1H3/t8-,9+,10+/m1/s1
InChIKey RZFWCLIDJJHDKG-UTLUCORTSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CVAHIDyYy
Name Ethyl (4aS*,8S*,8aS*)-1-oxo-3,4,4a,7,8,8a-hexahydro-1Hisochromene-8-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-2-15-11(13)9-5-3-4-8-6-7-16-12(14)10(8)9/h3-4,8-10H,2,5-7H2,1H3/t8-,9+,10+/m1/s1
InChIKey RZFWCLIDJJHDKG-UTLUCORTSA-N
Molecular Weight 224.256 g/mol
SMILES C1([C@@]2([C@@](C(=O)OCC)(CC=C[C@]2([H])CCO1)[H])[H])=O
SPLASH splash10-004l-9700000000-b30cd89aa3ca3bf06796
Source of Spectrum F-67-188-23b
Synonyms (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydro-2-benzopyran-8-carboxylic acid ethyl ester Ethyl (4aS,8S,8aS)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate Ethyl (4aS,8S,8aS)-1-oxidanylidene-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate
Wiley ID 1685361
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