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1-Acetoxy-2-(2-propenoxy)-3-(2-acetoxy-3-(N-acetyl-N-isopropyl-amino-propoxy)-benzene
SpectraBase Compound ID BHqFx2aVRQq
InChI InChI=1S/C21H29NO7/c1-7-11-26-21-19(9-8-10-20(21)29-17(6)25)27-13-18(28-16(5)24)12-22(14(2)3)15(4)23/h7-10,14,18H,1,11-13H2,2-6H3
InChIKey NCDFSMDJIYPYSN-UHFFFAOYSA-N
Mol Weight 407.46 g/mol
Molecular Formula C21H29NO7
Exact Mass 407.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29f9J7jJ1Aj
Name 1-Acetoxy-2-(2-propenoxy)-3-(2-acetoxy-3-(N-acetyl-N-isopropyl-amino-propoxy)-benzene
Alternate Name(s) 2-[acetyl(isopropyl)amino]-1-{[3-(acetyloxy)-2-(allyloxy)phenoxy]methyl}ethyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO7
InChI InChI=1S/C21H29NO7/c1-7-11-26-21-19(9-8-10-20(21)29-17(6)25)27-13-18(28-16(5)24)12-22(14(2)3)15(4)23/h7-10,14,18H,1,11-13H2,2-6H3
InChIKey NCDFSMDJIYPYSN-UHFFFAOYSA-N
Molecular Weight 407.463 g/mol
SMILES C(N(CC(OC(=O)C)COc1c(c(OC(=O)C)ccc1)OCC=C)C(C)C)(=O)C
SPLASH splash10-0kmi-9120000000-21dcbce82a15a1244307
Source of Spectrum JC-382-161-66
Wiley ID 1372561