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Methyl 9-aza-7-tert-butoxycarbonylmethyl-8-oxa-2-oxobicyclo[10.2.2]hexadeca-1,4,12,15-tetraene-10S-carboxylate
SpectraBase Compound ID eRrQYgAgGF
InChI InChI=1S/C22H29NO6/c1-22(2,3)29-19(24)14-16-7-5-6-12-28-17-10-8-15(9-11-17)13-18(21(26)27-4)23-20(16)25/h5-6,8-11,16,18H,7,12-14H2,1-4H3,(H,23,25)/b6-5-/t16?,18-/m0/s1
InChIKey WELROVGLFSZAGS-IUNAHJPJSA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1y9rWGAFUyG
Name Methyl 9-aza-7-tert-butoxycarbonylmethyl-8-oxa-2-oxobicyclo[10.2.2]hexadeca-1,4,12,15-tetraene-10S-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-22(2,3)29-19(24)14-16-7-5-6-12-28-17-10-8-15(9-11-17)13-18(21(26)27-4)23-20(16)25/h5-6,8-11,16,18H,7,12-14H2,1-4H3,(H,23,25)/b6-5-/t16?,18-/m0/s1
InChIKey WELROVGLFSZAGS-IUNAHJPJSA-N
Literature Reference DOI 10.1002/cjoc.200690202
Molecular Weight 403.475 g/mol
SMILES N1[C@@](Cc2ccc(OC\C=C/CC(C1=O)CC(OC(C)(C)C)=O)cc2)(C(OC)=O)[H]
SPLASH splash10-0a4i-9631100000-bc6cba112cdb2237d21c
Source of Spectrum CJC-24-1083-14
Wiley ID 1774320