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Aspartic acid, 2-(bromomethyl)-3-methyl-N-(phenylmethylene)-, diethyl ester
SpectraBase Compound ID 3gNLfzts6Ej
InChI InChI=1S/C17H22BrNO4/c1-4-22-15(20)13(3)17(12-18,16(21)23-5-2)19-11-14-9-7-6-8-10-14/h6-11,13H,4-5,12H2,1-3H3/b19-11+/t13?,17-/m0/s1
InChIKey JBEYECUJUJAPBL-MHRJRGBESA-N
Mol Weight 384.27 g/mol
Molecular Formula C17H22BrNO4
Exact Mass 383.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTmRyrUSBke
Name Aspartic acid, 2-(bromomethyl)-3-methyl-N-(phenylmethylene)-, diethyl ester
CAS Registry Number 115900-02-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22BrNO4
InChI InChI=1S/C17H22BrNO4/c1-4-22-15(20)13(3)17(12-18,16(21)23-5-2)19-11-14-9-7-6-8-10-14/h6-11,13H,4-5,12H2,1-3H3/b19-11+/t13?,17-/m0/s1
InChIKey JBEYECUJUJAPBL-MHRJRGBESA-N
Molecular Weight 384.270 g/mol
SMILES [C@](C(C(=O)OCC)C)(\N=C\c1ccccc1)(C(=O)OCC)CBr
SPLASH splash10-03di-0009000000-124bad28d2dde14cd06d
Source of Spectrum F-44-2146-18
Synonyms Diethyl (2S)-2-(bromomethyl)-3-methyl-2-{[(E)-phenylmethylidene]amino}butanedioate Diethyl benzylidene-.alpha.-bromomethyl-.beta.-methylaspartate
Wiley ID 1360995