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3-(2'-Nitroethyl)-4-[2'-(butylthio)ethenyl]indole
SpectraBase Compound ID 1OAQNnC9QKc
InChI InChI=1S/C16H20N2O2S/c1-2-3-10-21-11-8-13-5-4-6-15-16(13)14(12-17-15)7-9-18(19)20/h4-6,8,11-12,17H,2-3,7,9-10H2,1H3/b11-8+
InChIKey ORMVMYKDKGRWPQ-DHZHZOJOSA-N
Mol Weight 304.41 g/mol
Molecular Formula C16H20N2O2S
Exact Mass 304.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgaN6MrZ8R6
Name 3-(2'-Nitroethyl)-4-[2'-(butylthio)ethenyl]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O2S
InChI InChI=1S/C16H20N2O2S/c1-2-3-10-21-11-8-13-5-4-6-15-16(13)14(12-17-15)7-9-18(19)20/h4-6,8,11-12,17H,2-3,7,9-10H2,1H3/b11-8+
InChIKey ORMVMYKDKGRWPQ-DHZHZOJOSA-N
Molecular Weight 304.408 g/mol
SMILES [nH]1c2c(c(c1)CCN(=O)=O)c(ccc2)\C=C\SCCCC
SPLASH splash10-0uxr-0916000000-4a8b40fe44cccc6d83db
Source of Spectrum U-1997-1976-39
Synonyms 4-[(E)-2-(butylsulfanyl)ethenyl]-3-(2-nitroethyl)-1H-indole Butyl (E)-2-[3-(2-nitroethyl)-1H-indol-4-yl]ethenyl sulfide
Wiley ID 770158