Debug Info

object
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_id
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FxTlnH02TCu
spectrumID
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FxTlnH02TCu
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Mass Spectrum (GC)
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N,N-bis[2-(Cyclohex-2'-enyl)ethyl]-6-iodo-1,3-benzodioxole-5-methanamine
SpectraBase Compound ID 7k1IvPT7Sb5
InChI InChI=1S/C24H32INO2/c25-22-16-24-23(27-18-28-24)15-21(22)17-26(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h3,5,7,9,15-16,19-20H,1-2,4,6,8,10-14,17-18H2
InChIKey HWUKZRFIWMWJGG-UHFFFAOYSA-N
Mol Weight 493.4 g/mol
Molecular Formula C24H32INO2
Exact Mass 493.147774 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxTlnH02TCu
Name N,N-bis[2-(Cyclohex-2'-enyl)ethyl]-6-iodo-1,3-benzodioxole-5-methanamine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32INO2
InChI InChI=1S/C24H32INO2/c25-22-16-24-23(27-18-28-24)15-21(22)17-26(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h3,5,7,9,15-16,19-20H,1-2,4,6,8,10-14,17-18H2
InChIKey HWUKZRFIWMWJGG-UHFFFAOYSA-N
Molecular Weight 493.429 g/mol
SMILES c1(c(cc2c(c1)OCO2)I)CN(CCC1C=CCCC1)CCC1C=CCCC1
SPLASH splash10-03di-0292100000-2e997671e8a942f905d5
Source of Spectrum U1-1999-1930-14
Synonyms 2-(2-cyclohexen-1-yl)-N-[2-(2-cyclohexen-1-yl)ethyl]-N-[(6-iodo-1,3-benzodioxol-5-yl)methyl]ethanamine N,N-bis[2-(2-cyclohexen-1-yl)ethyl]-N-[(6-iodo-1,3-benzodioxol-5-yl)methyl]amine
Wiley ID 753068
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