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12-Iodo-5-methylsulfonyl-5,5a,6,7,8,9,10,11,12,12a-decahydrocyclonona[b]indole
SpectraBase Compound ID H5a8OEntWEr
InChI InChI=1S/C16H22INO2S/c1-21(19,20)18-14-10-7-6-8-12(14)16-13(17)9-4-2-3-5-11-15(16)18/h6-8,10,13,15-16H,2-5,9,11H2,1H3
InChIKey WEMWUTUIXGNLRX-UHFFFAOYSA-N
Mol Weight 419.32 g/mol
Molecular Formula C16H22INO2S
Exact Mass 419.041595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItT0KGHLRLQ
Name 12-Iodo-5-methylsulfonyl-5,5a,6,7,8,9,10,11,12,12a-decahydrocyclonona[b]indole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22INO2S
InChI InChI=1S/C16H22INO2S/c1-21(19,20)18-14-10-7-6-8-12(14)16-13(17)9-4-2-3-5-11-15(16)18/h6-8,10,13,15-16H,2-5,9,11H2,1H3
InChIKey WEMWUTUIXGNLRX-UHFFFAOYSA-N
Molecular Weight 419.321 g/mol
SMILES CS(N1c2c(cccc2)C2C1CCCCCCC2I)(=O)=O
SPLASH splash10-00kf-0070900000-818401f17958f02768d1
Source of Spectrum KC-0-2406-27
Synonyms 12-iodo-5-methylsulfonyl-6,7,8,9,10,11,12,12a-octahydro-5aH-cyclonona[b]indole 12-iodanyl-5-methylsulfonyl-6,7,8,9,10,11,12,12a-octahydro-5aH-cyclonona[b]indole
Wiley ID 831387