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Benzyl 2(S)-[(tert-Butoxycarbonyl)amino]-4(R/S)-(bromomethyl)hex-5-enoate
SpectraBase Compound ID 8eWGcxyeLZG
InChI InChI=1S/C19H26BrNO4/c1-5-14(12-20)11-16(21-18(23)25-19(2,3)4)17(22)24-13-15-9-7-6-8-10-15/h5-10,14,16H,1,11-13H2,2-4H3,(H,21,23)/t14-,16+/m1/s1
InChIKey CNEKCNKMCDSHGI-ZBFHGGJFSA-N
Mol Weight 412.32 g/mol
Molecular Formula C19H26BrNO4
Exact Mass 411.104521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQS1u9l9W7J
Name Benzyl 2(S)-[(tert-Butoxycarbonyl)amino]-4(R/S)-(bromomethyl)hex-5-enoate
Alternate Name(s) benzyl (2S,4S)-4-(bromomethyl)-2-[(tert-butoxycarbonyl)amino]-5-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26BrNO4
InChI InChI=1S/C19H26BrNO4/c1-5-14(12-20)11-16(21-18(23)25-19(2,3)4)17(22)24-13-15-9-7-6-8-10-15/h5-10,14,16H,1,11-13H2,2-4H3,(H,21,23)/t14-,16+/m1/s1
InChIKey CNEKCNKMCDSHGI-ZBFHGGJFSA-N
Molecular Weight 412.324 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(C[C@@](C=C)(CBr)[H])[H]
SPLASH splash10-01t9-0097000000-81b57ee87cb4521a38b4
Source of Spectrum J-60-2213-9
Wiley ID 1374040