Debug Info

object
{15}
_id
:
7ttuhJCK9Ks
spectrumID
:
7ttuhJCK9Ks
cost
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1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMS3X:545944:1
hasStructureAssignments
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false
properties
{11}
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
:
1735074081058
isDeprecated
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false

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25I-Nbmd
SpectraBase Compound ID CRwqobglyzQ
InChI InChI=1S/C18H20INO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3
InChIKey NJNMIPDEUMTYNV-UHFFFAOYSA-N
Mol Weight 441.27 g/mol
Molecular Formula C18H20INO4
Exact Mass 441.043703 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ttuhJCK9Ks
Name 25I-NBMD
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20INO4
InChI InChI=1S/C18H20INO4/c1-21-16-9-14(19)17(22-2)8-12(16)6-7-20-10-13-4-3-5-15-18(13)24-11-23-15/h3-5,8-9,20H,6-7,10-11H2,1-2H3
InChIKey NJNMIPDEUMTYNV-UHFFFAOYSA-N
Molecular Weight 441.265 g/mol
SMILES N(CCc1cc(c(cc1OC)I)OC)Cc1c2c(ccc1)OCO2
SPLASH splash10-01p9-2910000000-61abf459016d1c357465
Source of Spectrum SWG-33-3383-0
Synonyms Cimbi-29 N-(benzo[d][1,3-dioxol-4-ylmethyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine 2C-I-NBMD N-(benzo[d][1,3]dioxol-4-ylmethyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethan-1-amine
Wiley ID 1810215
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