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1-Benzyl-3-chloro-4-[1-chloro-meth-(E)-ylidene]-3-tetradecyl-pyrrolidin-2-one
SpectraBase Compound ID 8bwnE0JK0Xo
InChI InChI=1S/C26H39Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26(28)24(20-27)22-29(25(26)30)21-23-17-14-13-15-18-23/h13-15,17-18,20H,2-12,16,19,21-22H2,1H3/b24-20+
InChIKey YYCHJQYUDDAQEE-HIXSDJFHSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H39Cl2NO
Exact Mass 451.24087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K54ch5gRL6g
Name 1-Benzyl-3-chloro-4-[1-chloro-meth-(E)-ylidene]-3-tetradecyl-pyrrolidin-2-one
Alternate Name(s) (4E)-1-benzyl-3-chloro-4-(chloromethylene)-3-tetradecyl-2-pyrrolidinone (E)-N-Benzyl-3-chloro-4-chloromethyl-3-tetradecyl-2-pyrrolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39Cl2NO
InChI InChI=1S/C26H39Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26(28)24(20-27)22-29(25(26)30)21-23-17-14-13-15-18-23/h13-15,17-18,20H,2-12,16,19,21-22H2,1H3/b24-20+
InChIKey YYCHJQYUDDAQEE-HIXSDJFHSA-N
Molecular Weight 452.510 g/mol
SMILES C1(N(C\C(C1(Cl)CCCCCCCCCCCCCC)=C\Cl)Cc1ccccc1)=O
SPLASH splash10-05mo-9081800000-d2c12ebe51b7bb8cb661
Source of Spectrum C5-2004-1683-12
Wiley ID 1616984