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(-)-(3aS)-Eseroline-4'-benzyloxyphenylcarbamate

View entire compound with spectra: 1 MS (GC)

(-)-(3aS)-Eseroline-4'-benzyloxyphenylcarbamate
SpectraBase Compound ID GoLG1UepTyD
InChI InChI=1S/C27H29N3O3/c1-27-15-16-29(2)25(27)30(3)24-14-13-22(17-23(24)27)33-26(31)28-20-9-11-21(12-10-20)32-18-19-7-5-4-6-8-19/h4-14,17,25H,15-16,18H2,1-3H3,(H,28,31)/t25?,27-/m0/s1
InChIKey KRUXSUGLXMAWLZ-GPNIZQGCSA-N
Mol Weight 443.55 g/mol
Molecular Formula C27H29N3O3
Exact Mass 443.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is6JKbxqu5b
Name (-)-(3aS)-Eseroline-4'-benzyloxyphenylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3O3
InChI InChI=1S/C27H29N3O3/c1-27-15-16-29(2)25(27)30(3)24-14-13-22(17-23(24)27)33-26(31)28-20-9-11-21(12-10-20)32-18-19-7-5-4-6-8-19/h4-14,17,25H,15-16,18H2,1-3H3,(H,28,31)/t25?,27-/m0/s1
InChIKey KRUXSUGLXMAWLZ-GPNIZQGCSA-N
Molecular Weight 443.547 g/mol
SMILES N(C(Oc1cc2[C@]3(C(N(C)c2cc1)N(C)CC3)C)=O)c1ccc(OCc2ccccc2)cc1
SPLASH splash10-0006-9200000000-bb06665fd65d45032b39
Source of Spectrum H1-50-99-8
Wiley ID 816826