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1H-Pyrrole, 1-[(2-isothiocyanatophenyl)methyl]-
SpectraBase Compound ID HQoCzyMsXEc
InChI InChI=1S/C12H10N2S/c15-10-13-12-6-2-1-5-11(12)9-14-7-3-4-8-14/h1-8H,9H2
InChIKey QKIIIIKKGIQPOJ-UHFFFAOYSA-N
Mol Weight 214.29 g/mol
Molecular Formula C12H10N2S
Exact Mass 214.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DeU22Lp129
Name 1H-Pyrrole, 1-[(2-isothiocyanatophenyl)methyl]-
CAS Registry Number 128103-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2S
InChI InChI=1S/C12H10N2S/c15-10-13-12-6-2-1-5-11(12)9-14-7-3-4-8-14/h1-8H,9H2
InChIKey QKIIIIKKGIQPOJ-UHFFFAOYSA-N
Molecular Weight 214.286 g/mol
SMILES c1(N=C=S)c(C[n]2cccc2)cccc1
SPLASH splash10-0a4i-9200000000-a58777fc01cd5ce9b636
Source of Spectrum F-46-1072-16
Synonyms 1-(2-isothiocyanatobenzyl)-1H-pyrrole N-(o-thioxo-methylinyl-imino-benzyl)-pyrrole
Wiley ID 1213544