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Benzyl 2-[(2-chloroethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamate
SpectraBase Compound ID BXFjuct8xMi
InChI InChI=1S/C21H22ClN3O3/c22-10-11-23-20(26)19(12-16-13-24-18-9-5-4-8-17(16)18)25-21(27)28-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,26)(H,25,27)
InChIKey ZUQJYRMHWORXSY-UHFFFAOYSA-N
Mol Weight 399.88 g/mol
Molecular Formula C21H22ClN3O3
Exact Mass 399.134969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IL1FBgDrA0Q
Name Benzyl 2-[(2-chloroethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamate
Alternate Name(s) (phenylmethyl) N-[1-(2-chloroethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate benzyl N-[1-(2-chloroethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate benzyl N-[2-(2-chloroethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate Carbamic acid, N-[1-(2-chloroethylaminocarbonyl)-2-(3-indolyl)ethyl]-, benzyl ester N-[1-(2-chloroethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester N-[2-(2-chloroethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester
CAS Registry Number 15054-20-3
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Formula C21H22ClN3O3
InChI InChI=1S/C21H22ClN3O3/c22-10-11-23-20(26)19(12-16-13-24-18-9-5-4-8-17(16)18)25-21(27)28-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,26)(H,25,27)
InChIKey ZUQJYRMHWORXSY-UHFFFAOYSA-N
Molecular Weight 399.878 g/mol
SMILES [nH]1c2c(c(CC(C(=O)NCCCl)NC(=O)OCc3ccccc3)c1)cccc2
SPLASH splash10-001i-8930000000-aea1f20794bf3bea53a9
Source of Spectrum AD-0-2532-0
Wiley ID 1432701