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2,4-Hexadienoic acid, 3-amino-, 1,1-dimethylethyl ester, (Z,?)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2,4-Hexadienoic acid, 3-amino-, 1,1-dimethylethyl ester, (Z,?)-
SpectraBase Compound ID 4r6PbzIOXAI
InChI InChI=1S/C10H17NO2/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-7H,11H2,1-4H3/b6-5+,8-7-
InChIKey WQSIDJSSWJRYQB-MDAAKZFYSA-N
Mol Weight 183.25 g/mol
Molecular Formula C10H17NO2
Exact Mass 183.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5b8oc5TcfbP
Name 2,4-Hexadienoic acid, 3-amino-, 1,1-dimethylethyl ester, (Z,?)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 183.125928789 u
Formula C10H17NO2
InChI InChI=1S/C10H17NO2/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-7H,11H2,1-4H3/b6-5+,8-7-
InChIKey WQSIDJSSWJRYQB-MDAAKZFYSA-N
Molecular Weight 183.251 g/mol
SMILES C(\C=C\(\C=C\C)N)(OC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975904