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IUua1Nd0UJ3
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IUua1Nd0UJ3
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131072
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Mass Spectrum (GC)
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Methyl (9S)-4-Methoxy-11-oxo-2-oxa-10-azatricyclo[12.2.2.1(3,7)]nonadeca-3,5,7(19),14,16,17-hexaene-9-carboxylate
SpectraBase Compound ID 4qq97q7Ou5R
InChI InChI=1S/C20H21NO5/c1-24-17-9-5-14-11-16(20(23)25-2)21-19(22)10-6-13-3-7-15(8-4-13)26-18(17)12-14/h3-5,7-9,12,16H,6,10-11H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKey AXBCCEYICCHJCI-INIZCTEOSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUua1Nd0UJ3
Name Methyl (9S)-4-methoxy-11-oxo-2-oxa-10-azatricyclo[12.2.2.1(3,7)nonadeca-3,5,7(19),14,16,17-hexaene-9-carboxylate
CAS Registry Number 132513-27-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-24-17-9-5-14-11-16(20(23)25-2)21-19(22)10-6-13-3-7-15(8-4-13)26-18(17)12-14/h3-5,7-9,12,16H,6,10-11H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKey AXBCCEYICCHJCI-INIZCTEOSA-N
Molecular Weight 355.390 g/mol
SMILES N1C(CCc2ccc(Oc3cc(C[C@]1(C(=O)OC)[H])ccc3OC)cc2)=O
SPLASH splash10-05ai-0079000000-7b16471762ed7e68b034
Source of Spectrum J-56-1767-19
Synonyms Methyl (9S)-4-Methoxy-11-oxo-2-oxa-10-azatricyclo[12.2.2.1(3,7)]nonadeca-3,5,7(19),14,16,17-hexaene-9-carboxylate Methyl (9S)-4-methoxy-11-oxo-2-oxa-10-azatricyclo[12.2.2.1(3,7)]nonadeca-1(16),3(19),4,6,14,17-hexaene-9-carboxylate
Wiley ID 1345286
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