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Benzyl 2(S)-[(tert-Butoxycarbonyl)amino]-7-chlorohept-5-enoate
SpectraBase Compound ID 6HYUF8XhdIX
InChI InChI=1S/C19H26ClNO4/c1-19(2,3)25-18(23)21-16(12-8-5-9-13-20)17(22)24-14-15-10-6-4-7-11-15/h4-7,9-11,16H,8,12-14H2,1-3H3,(H,21,23)/b9-5+/t16-/m0/s1
InChIKey PGTNVOZDACEGQZ-RDTXFTJFSA-N
Mol Weight 367.87 g/mol
Molecular Formula C19H26ClNO4
Exact Mass 367.155036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jAaB2Yszxl
Name Benzyl 2(S)-[(tert-Butoxycarbonyl)amino]-7-chlorohept-5-enoate
Alternate Name(s) benzyl (2S,5E)-2-[(tert-butoxycarbonyl)amino]-7-chloro-5-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26ClNO4
InChI InChI=1S/C19H26ClNO4/c1-19(2,3)25-18(23)21-16(12-8-5-9-13-20)17(22)24-14-15-10-6-4-7-11-15/h4-7,9-11,16H,8,12-14H2,1-3H3,(H,21,23)/b9-5+/t16-/m0/s1
InChIKey PGTNVOZDACEGQZ-RDTXFTJFSA-N
Molecular Weight 367.873 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CC\C=C\CCl)[H]
SPLASH splash10-0159-0019000000-043a311ff05fba6cd6b0
Source of Spectrum J-60-2213-9
Wiley ID 1352510