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tert-Butyl 7-(benzo[1,3]dioxol-5-yl)-8-(1-morpholin-4-ylethyl))spiro[2.5]oct-7-ene-5-carboxylate isomer
SpectraBase Compound ID BBV5x5mUzJ2
InChI InChI=1S/C26H35NO5/c1-17(27-9-11-29-12-10-27)23-20(18-5-6-21-22(14-18)31-16-30-21)13-19(15-26(23)7-8-26)24(28)32-25(2,3)4/h5-6,14,17,19H,7-13,15-16H2,1-4H3
InChIKey QIPZYBUUOSKFPA-UHFFFAOYSA-N
Mol Weight 441.6 g/mol
Molecular Formula C26H35NO5
Exact Mass 441.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMmhsEICOTo
Name tert-Butyl 7-(benzo[1,3]dioxol-5-yl)-8-(1-morpholin-4-ylethyl))spiro[2.5]oct-7-ene-5-carboxylate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO5
InChI InChI=1S/C26H35NO5/c1-17(27-9-11-29-12-10-27)23-20(18-5-6-21-22(14-18)31-16-30-21)13-19(15-26(23)7-8-26)24(28)32-25(2,3)4/h5-6,14,17,19H,7-13,15-16H2,1-4H3
InChIKey QIPZYBUUOSKFPA-UHFFFAOYSA-N
Molecular Weight 441.568 g/mol
SMILES C12(C(=C(c3cc4OCOc4cc3)CC(C(OC(C)(C)C)=O)C2)C(N2CCOCC2)C)CC1
SPLASH splash10-0002-2590400000-912f4ad1dc08498ae909
Source of Spectrum KC-61-11367-40
Wiley ID 1631378