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(Z)-3-azapentacyclo[5.1.0.0(2,4).0(3,5).0(6,8)]octane-7-carbonitrile
SpectraBase Compound ID HXLCpe3Gx06
InChI InChI=1S/C8H6N2/c9-1-8-2-3(8)5-7-6(4(2)8)10(5)7/h2-7H
InChIKey QKZBHVFMQQAYRV-UHFFFAOYSA-N
Mol Weight 130.15 g/mol
Molecular Formula C8H6N2
Exact Mass 130.053098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wGnUbr9orI
Name (Z)-3-azapentacyclo[5.1.0.0(2,4).0(3,5).0(6,8)]octane-7-carbonitrile
CAS Registry Number 133868-00-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2
InChI InChI=1S/C8H6N2/c9-1-8-2-3(8)5-7-6(4(2)8)10(5)7/h2-7H
InChIKey QKZBHVFMQQAYRV-UHFFFAOYSA-N
Molecular Weight 130.150 g/mol
SMILES C12N3C2C2C4(C#N)C(C13)C24
SPLASH splash10-0fb9-0900000000-5f187932f41b34d4422e
Source of Spectrum K-124-1788-4
Synonyms 3-azapentacyclo[5.1.0.0(2,4).0(3,5).0(6,8)]octane-7-carbonitrile
Wiley ID 1132990