Debug Info

object
{15}
_id
:
8GgDymHA56u
spectrumID
:
8GgDymHA56u
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WDD1X:7692:1
hasStructureAssignments
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false
properties
{18}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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N-((-)-(1R)-Menthoxycarbonyl)-(1R,2S)-norephedrine TMS
SpectraBase Compound ID 1rlH7ErE7QJ
InChI InChI=1S/C23H39NO3Si/c1-16(2)20-14-13-17(3)15-21(20)26-23(25)24-18(4)22(27-28(5,6)7)19-11-9-8-10-12-19/h8-12,16-18,20-22H,13-15H2,1-7H3,(H,24,25)/t17-,18+,20+,21-,22+/m1/s1
InChIKey UVEFPEZWBTUNNH-DKBNTXJOSA-N
Mol Weight 405.7 g/mol
Molecular Formula C23H39NO3Si
Exact Mass 405.269921 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GgDymHA56u
Name N-((-)-(1R)-Menthoxycarbonyl)-(1R,2S)-norephedrine TMS
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 405.269920652 u
Formula C23H39NO3Si
InChI InChI=1S/C23H39NO3Si/c1-16(2)20-14-13-17(3)15-21(20)26-23(25)24-18(4)22(27-28(5,6)7)19-11-9-8-10-12-19/h8-12,16-18,20-22H,13-15H2,1-7H3,(H,24,25)/t17-,18+,20+,21-,22+/m1/s1
InChIKey UVEFPEZWBTUNNH-DKBNTXJOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 405.654 g/mol
Nominal Mass 405 u
Quality 968
Retention Index 2399
SMILES [C@@]([C@@](NC(O[C@]1([C@](C(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)(C)[H])(C=1C=CC=CC1)(O[Si](C)(C)C)[H]
SPLASH splash10-00c0-7910000000-5b7c27d96868784b1fbd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl ((1R,2S)-1-phenyl-1-((trimethylsilyl)oxy)propan-\r2-yl)carbamate
Technique GC/MS
Wiley ID DD2024_007692
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