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4-((1S,2R)-2-(((4-methoxybenzyl)oxy)methyl)cyclopropyl)but-3-yn-1-yl acetate
SpectraBase Compound ID B2I8MUzyL3S
InChI InChI=1S/C18H22O4/c1-14(19)22-10-4-3-5-16-11-17(16)13-21-12-15-6-8-18(20-2)9-7-15/h6-9,16-17H,4,10-13H2,1-2H3/t16-,17-/m0/s1
InChIKey DUTQAAVMCNOJPM-IRXDYDNUSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PYKGRP5opF
Name 4-((1S,2R)-2-(((4-methoxybenzyl)oxy)methyl)cyclopropyl)but-3-yn-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-14(19)22-10-4-3-5-16-11-17(16)13-21-12-15-6-8-18(20-2)9-7-15/h6-9,16-17H,4,10-13H2,1-2H3/t16-,17-/m0/s1
InChIKey DUTQAAVMCNOJPM-IRXDYDNUSA-N
Literature Reference DOI 10.1021/ol1029996
Molecular Weight 302.370 g/mol
SMILES [C@]1([H])(C[C@@]1([H])COCc1ccc(cc1)OC)C#CCCOC(C)=O
SPLASH splash10-00di-2900000000-7c5e598d2a6a43fee9bb
Source of Spectrum A1-13-956/SMS14-25
Wiley ID 1752775