Debug Info

object
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_id
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GMIsEiKkK0G
spectrumID
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GMIsEiKkK0G
cost
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specType
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WMS3X:238716:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-2-(4-methoxyphenyl)-
SpectraBase Compound ID OiXSE4FTUm
InChI InChI=1S/C15H17NO2/c1-17-13-4-2-12(3-5-13)16-9-11-8-14-6-7-15(11,10-16)18-14/h2-7,11,14H,8-10H2,1H3
InChIKey CWQOLNPEJYNXEB-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C15H17NO2
Exact Mass 243.125929 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMIsEiKkK0G
Name 3a,6-Epoxy-3aH-isoindole, 1,2,3,6,7,7a-hexahydro-2-(4-methoxyphenyl)-
CAS Registry Number 17960-79-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO2
InChI InChI=1S/C15H17NO2/c1-17-13-4-2-12(3-5-13)16-9-11-8-14-6-7-15(11,10-16)18-14/h2-7,11,14H,8-10H2,1H3
InChIKey CWQOLNPEJYNXEB-UHFFFAOYSA-N
Molecular Weight 243.306 g/mol
SMILES COc1ccc(cc1)N1CC2CC3C=CC2(C1)O3
SPLASH splash10-01po-5950000000-522a4e68f6dab4c9a259
Source of Spectrum W5-0-0-0
Wiley ID 1246138
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