Debug Info

object
{15}
_id
:
F1PmgRquzUP
spectrumID
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F1PmgRquzUP
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:254216:1
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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false
spectralOutlier
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compound
{10}
lastUpdated
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1735074081058
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false

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trans-6-Amino-3,4-Dihydro-2,2-dimethyl-4-isopropylamino-2H-1-benzopyran-3-ol
SpectraBase Compound ID 6c6y2YxAETt
InChI InChI=1S/C14H22N2O2/c1-8(2)16-12-10-7-9(15)5-6-11(10)18-14(3,4)13(12)17/h5-8,12-13,16-17H,15H2,1-4H3/t12-,13+/m0/s1
InChIKey MYCOLRIAPNPSQU-QWHCGFSZSA-N
Mol Weight 250.34 g/mol
Molecular Formula C14H22N2O2
Exact Mass 250.168128 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1PmgRquzUP
Name trans-6-Amino-3,4-Dihydro-2,2-dimethyl-4-isopropylamino-2H-1-benzopyran-3-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N2O2
InChI InChI=1S/C14H22N2O2/c1-8(2)16-12-10-7-9(15)5-6-11(10)18-14(3,4)13(12)17/h5-8,12-13,16-17H,15H2,1-4H3/t12-,13+/m0/s1
InChIKey MYCOLRIAPNPSQU-QWHCGFSZSA-N
Molecular Weight 250.342 g/mol
SMILES Nc1ccc2c([C@@]([C@](C(O2)(C)C)(O)[H])(NC(C)C)[H])c1
SPLASH splash10-004r-6900000000-b1165494c76209b7435d
Source of Spectrum O-20-441-22
Synonyms (3R,4S)-6-amino-4-(isopropylamino)-2,2-dimethyl-3,4-dihydro-2H-chromen-3-ol trans-6-amini-3,4-dihydro-2,2-dimethyl-4-isopropylamino-2H-1-benzopyran-3-ol (3R,4S)-6-amino-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydro-2H-1-benzopyran-3-ol (3R,4S)-6-amino-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydrochromen-3-ol (3R,4S)-6-azanyl-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydrochromen-3-ol
Wiley ID 1253431
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