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1-(2-CHLOROETHYL)-2,14-DIOXO-1-AZACYCLOTETRADECANE-3-CARBONITRILE
SpectraBase Compound ID GI8S6vhop0X
InChI InChI=1S/C16H25ClN2O2/c17-11-12-19-15(20)10-8-6-4-2-1-3-5-7-9-14(13-18)16(19)21/h14H,1-12H2
InChIKey WMFBVLZAVKFOPD-UHFFFAOYSA-N
Mol Weight 312.84 g/mol
Molecular Formula C16H25ClN2O2
Exact Mass 312.160456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k8EeNvKDXp
Name 1-(2-Chloroethyl)-2,14-bis(oxidanylidene)-1-azacyclotetradecane-3-carbonitrile
CAS Registry Number 128853-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25ClN2O2
InChI InChI=1S/C16H25ClN2O2/c17-11-12-19-15(20)10-8-6-4-2-1-3-5-7-9-14(13-18)16(19)21/h14H,1-12H2
InChIKey WMFBVLZAVKFOPD-UHFFFAOYSA-N
Molecular Weight 312.841 g/mol
SMILES C1CCCCCC(=O)N(C(=O)C(CCCC1)C#N)CCCl
SPLASH splash10-052e-9200000000-50014591e17fbda204db
Source of Spectrum H-73-275-12
Synonyms 1-(2-Chloroethyl)-2,14-diketo-azacyclotetradecane-3-carbonitrile 1-(2-Chloroethyl)-2,14-dioxo-azacyclotetradecane-3-carbonitrile
Wiley ID 1313168