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tert-Butyl (E)-3-{2-[(E)-2-tert-butoxycarbonylethenyl]-1-hydroxycyclohexpt-yl}acrylate
SpectraBase Compound ID Hue8ScG8RxB
InChI InChI=1S/C21H34O5/c1-19(2,3)25-17(22)12-11-16-10-8-7-9-14-21(16,24)15-13-18(23)26-20(4,5)6/h11-13,15-16,24H,7-10,14H2,1-6H3/b12-11+,15-13+/t16-,21+/m1/s1
InChIKey NBHIIGPJJDNUOK-VOUSPKNCSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPlWOcF2gXL
Name tert-Butyl (E)-3-{2-[(E)-2-tert-butoxycarbonylethenyl]-1-hydroxycyclohexpt-yl}acrylate
Alternate Name(s) (E)-3-[(1S,2R)-2-((E)-2-tert-Butoxycarbonyl-vinyl)-1-hydroxy-cycloheptyl]-acrylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-19(2,3)25-17(22)12-11-16-10-8-7-9-14-21(16,24)15-13-18(23)26-20(4,5)6/h11-13,15-16,24H,7-10,14H2,1-6H3/b12-11+,15-13+/t16-,21+/m1/s1
InChIKey NBHIIGPJJDNUOK-VOUSPKNCSA-N
Molecular Weight 366.498 g/mol
SMILES O[C@@]1(\C=C\C(OC(C)(C)C)=O)[C@@](\C=C\C(OC(C)(C)C)=O)(CCCCC1)[H]
SPLASH splash10-0pbi-5090000000-859902fe36fcef54380f
Source of Spectrum SO-0-1336-12
Wiley ID 878022