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(3R,6bS)-Hexahydro-3-{2'-[(4''-methoxyphenyl)methoxy]ethyl}-2H-1,4-dioxa-4-azacyclopenta[cd]pentalen-2-one
SpectraBase Compound ID CDAc2Bu7XuG
InChI InChI=1S/C17H21NO5/c1-20-12-4-2-11(3-5-12)10-21-9-7-13-15-16-14(22-17(15)19)6-8-18(16)23-13/h2-5,13-16H,6-10H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKey NQPHIWLEDMMVFN-QKPAOTATSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79PNZhTi8YY
Name (3R,6bS)-Hexahydro-3-{2'-[(4''-methoxyphenyl)methoxy]ethyl}-2H-1,4-dioxa-4-azacyclopenta[cd]pentalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-20-12-4-2-11(3-5-12)10-21-9-7-13-15-16-14(22-17(15)19)6-8-18(16)23-13/h2-5,13-16H,6-10H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKey NQPHIWLEDMMVFN-QKPAOTATSA-N
Molecular Weight 319.357 g/mol
SMILES [C@]12(N3CC[C@@]1(OC([C@@]2([C@](O3)(CCOCc1ccc(cc1)OC)[H])[H])=O)[H])[H]
SPLASH splash10-00di-1900000000-fe8a741a3e933eb3b0ea
Source of Spectrum U1-2002-1949-21
Synonyms (+)-(2aS,3R,6aS,6bS)-Hexahydro-3-{2-[(4-methoxyphenyl)methoxy]ethyl}-2H-1,4-dioxa-4a-azacyclopenta[cd]pentalen-2-one (2aS,3R,6aS,6bS)-3-{2-[(4-methoxybenzyl)oxy]ethyl}hexahydro-2H-1,4-dioxa-4a-azacyclopenta[cd]pentalen-2-one (2aS,3R,6aS,6bS)-3-[2-(4-Methoxy-benzyloxy)-ethyl]-hexahydro-1,4-dioxa-4a-aza-cyclopenta[cd]pentalen-2-one (3R,6bS)-3-{2-[(4-methoxybenzyl)oxy]ethyl}hexahydro-2H-1,4-dioxa-4a-azacyclopenta[cd]pentalen-2-one Hexahydro-3-{2'-[(4''-methoxyphenyl)methoxy]ethyl}-2H-1,4-dioxa-4-azacyclopenta[cd]pentalen-2-one
Wiley ID 1522603