Debug Info

object
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_id
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43i3ozhhUO
spectrumID
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43i3ozhhUO
cost
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specType
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131072
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WMS3X:252004:1
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MS (GC)
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Mass Spectrum (GC)
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trans-(6S,7S)-Diydroxy-(3R)-isopropyl-(8aS)-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-(1R)-carbonitrile
SpectraBase Compound ID 44auwnIiOYH
InChI InChI=1S/C15H23NO2/c1-9(2)10-4-11-6-13(17)14(18)7-15(11,3)12(5-10)8-16/h6,9-10,12-14,17-18H,4-5,7H2,1-3H3/t10-,12-,13-,14-,15+/m0/s1
InChIKey OCTFJSJDJWAPSB-MFGQWXODSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43i3ozhhUO
Name trans-(6S,7S)-Diydroxy-(3R)-isopropyl-(8aS)-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalene-(1R)-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-9(2)10-4-11-6-13(17)14(18)7-15(11,3)12(5-10)8-16/h6,9-10,12-14,17-18H,4-5,7H2,1-3H3/t10-,12-,13-,14-,15+/m0/s1
InChIKey OCTFJSJDJWAPSB-MFGQWXODSA-N
Molecular Weight 249.354 g/mol
SMILES O[C@@]1([C@](C[C@@]2(C(=C1)C[C@@](C[C@]2(C#N)[H])(C(C)C)[H])C)(O)[H])[H]
SPLASH splash10-0006-9210000000-7786a7c60d8997f1b3e4
Source of Spectrum KD-14-2285-1
Synonyms (1R,3R,6S,7S,8aS)-6,7-dihydroxy-8a-methyl-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1-carbonitrile (1R,3R,6S,7S,8aS)-8a-methyl-6,7-bis(oxidanyl)-3-propan-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1-carbonitrile
Wiley ID 1636188
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