3-Benzyloxy-1-[1-(4-methoxyphenyl)ethyl]-4-oxoazetidine-2-carboxylic acid methyl ester isomer

SpectraBase Compound ID	5J1f2VvB0pC
InChI	InChI=1S/C21H23NO5/c1-14(16-9-11-17(25-2)12-10-16)22-18(21(24)26-3)19(20(22)23)27-13-15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3/t14?,18-,19-/m0/s1
InChIKey	LIISTIZKKPWERE-SQJZIBIZSA-N Google Search
Mol Weight	369.42 g/mol
Molecular Formula	C21H23NO5
Exact Mass	369.157623 g/mol

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SpectraBase Spectrum ID	DkfkZjBpeHJ
Name	3-Benzyloxy-1-[1-(4-methoxyphenyl)ethyl]-4-oxoazetidine-2-carboxylic acid methyl ester isomer
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	369.157622840 u
Formula	C21H23NO5
InChI	InChI=1S/C21H23NO5/c1-14(16-9-11-17(25-2)12-10-16)22-18(21(24)26-3)19(20(22)23)27-13-15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3/t14?,18-,19-/m0/s1
InChIKey	LIISTIZKKPWERE-SQJZIBIZSA-N
Molecular Weight	369.417 g/mol
SMILES	[C@]1(N(C([C@]1(OCC1=CC=CC=C1)[H])=O)C(C1=CC=C(C=C1)OC)C)(C(=O)OC)[H]