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2-Butenenitrile, 3-pyrrolo[1',2':3,4]pyrimido[2,1,6-cd]pyrrolizin-8-yl-
SpectraBase Compound ID 7JQtrDq85MD
InChI InChI=1S/C16H11N3/c1-11(8-9-17)15-6-4-14-10-13-3-2-12-5-7-16(18(12)13)19(14)15/h2-8,10H,1H3/b11-8+
InChIKey TVMNXPORWQRELM-DHZHZOJOSA-N
Mol Weight 245.28 g/mol
Molecular Formula C16H11N3
Exact Mass 245.095297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hHs1GnHEYE
Name 2-Butenenitrile, 3-pyrrolo[1',2':3,4]pyrimido[2,1,6-cd]pyrrolizin-8-yl-
CAS Registry Number 73510-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3
InChI InChI=1S/C16H11N3/c1-11(8-9-17)15-6-4-14-10-13-3-2-12-5-7-16(18(12)13)19(14)15/h2-8,10H,1H3/b11-8+
InChIKey TVMNXPORWQRELM-DHZHZOJOSA-N
Molecular Weight 245.285 g/mol
SMILES c12-[n]3c(ccc3\C(=C\C#N)C)C=C3[n]1c(C=C3)cc2
SPLASH splash10-0002-0390000000-dc11c39d7df1b884c079
Source of Spectrum K-113-620-0
Synonyms (2E)-3-(8a,8c-diazacyclopenta[cd]s-indacen-8-yl)-2-butenenitrile 3-(pyrrolo[1',2':3,4]pyrimido[2,1,6-cd]pyrrolizin-8-yl)-2-butenenitrile 3-(pyrrolo[1',2':3,4]pyrimido[2,1,6-cd]pyrrolizin-8-yl)-2-butennitrile Pyrrolo[1',2':3,4]pyrimido[2,1,6-cd]pyrrolizine, 2-butenenitrile deriv.
Wiley ID 1248183