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(1S)-N-[(2E)-1-(Hydroxymethyl)-5-oxohex-2-enyl](tert-butoxy)carboxamide
SpectraBase Compound ID 3Fgl6S00N6n
InChI InChI=1S/C12H21NO4/c1-9(15)6-5-7-10(8-14)13-11(16)17-12(2,3)4/h5,7,10,14H,6,8H2,1-4H3,(H,13,16)/b7-5+/t10-/m0/s1
InChIKey ZBMBZZCPGBBNNN-STUBTGCMSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vMknsdWv9j
Name (1S)-N-[(2E)-1-(Hydroxymethyl)-5-oxohex-2-enyl](tert-butoxy)carboxamide
Alternate Name(s) tert-Butyl (1S,2E)-1-(hydroxymethyl)-5-oxo-2-hexenylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-9(15)6-5-7-10(8-14)13-11(16)17-12(2,3)4/h5,7,10,14H,6,8H2,1-4H3,(H,13,16)/b7-5+/t10-/m0/s1
InChIKey ZBMBZZCPGBBNNN-STUBTGCMSA-N
Molecular Weight 243.303 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](CO)(\C=C\CC(=O)C)[H]
SPLASH splash10-0a4i-9200000000-3e645dfcfef2a080646d
Source of Spectrum QC-11-3766-11
Wiley ID 860045