Debug Info

object
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_id
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GRIMqRvjjX9
spectrumID
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GRIMqRvjjX9
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specType
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dbLocation
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WMS3X:605690:1
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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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(3aR,5aS,9aS,9bR)-3a-ethyl-6,6,9a-trimethyldodecahydronaphtho[2,1-b]furan
SpectraBase Compound ID LNlIbqki7uY
InChI InChI=1S/C17H30O/c1-5-17-11-7-13-15(2,3)9-6-10-16(13,4)14(17)8-12-18-17/h13-14H,5-12H2,1-4H3/t13-,14+,16-,17+/m0/s1
InChIKey ZTMLEAJYMJUHBZ-HDEZJCGLSA-N
Mol Weight 250.43 g/mol
Molecular Formula C17H30O
Exact Mass 250.229666 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRIMqRvjjX9
Name (3aR,5aS,9aS,9bR)-3a-ethyl-6,6,9a-trimethyldodecahydronaphtho[2,1-b]furan
Appearance White crystalline solid
Carrier Gas Hydrogen
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O
InChI InChI=1S/C17H30O/c1-5-17-11-7-13-15(2,3)9-6-10-16(13,4)14(17)8-12-18-17/h13-14H,5-12H2,1-4H3/t13-,14+,16-,17+/m0/s1
InChIKey ZTMLEAJYMJUHBZ-HDEZJCGLSA-N
Inlet Type Split
Instrument Name GCMS
Ionization Type EI
Molecular Weight 250.426 g/mol
Optical Rotation [a]D = -34 (c = 0.06, CHCl3)
Quality 254
SMILES [C@]12(OCC[C@@]2([C@]2(CCCC([C@@]2(CC1)[H])(C)C)C)[H])CC
SPLASH splash10-00di-9360000000-2707307d5c79109550f2
Source of Spectrum EP4069858A1
Wiley ID 1895009
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