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(1R*,3R,4R,6R*)-3-Benzoylamino-4-[(4'S)-4'-(2',2'-dimethyl-1',3'-dioxolo)]-3-methoxycarbonylbicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID 9Yq0zFvGzqw
InChI InChI=1S/C21H25NO6/c1-20(2)27-11-16(28-20)15-10-13-9-14(13)17(23)21(15,19(25)26-3)22-18(24)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3,(H,22,24)/t13?,14?,15-,16-,21+/m0/s1
InChIKey MXRCAHUJHKGHBC-QVZGVRFISA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Giz23Kk43TH
Name (1R*,3R,4R,6R*)-3-Benzoylamino-4-[(4'S)-4'-(2',2'-dimethyl-1',3'-dioxolo)]-3-methoxycarbonylbicyclo[4.1.0]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-20(2)27-11-16(28-20)15-10-13-9-14(13)17(23)21(15,19(25)26-3)22-18(24)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3,(H,22,24)/t13?,14?,15-,16-,21+/m0/s1
InChIKey MXRCAHUJHKGHBC-QVZGVRFISA-N
Molecular Weight 387.432 g/mol
SMILES N([C@]1(C(C2CC2C[C@]1([C@]1(OC(C)(C)OC1)[H])[H])=O)C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-1bdedf6c060b621a5909
Source of Spectrum KC-57-1033-26
Wiley ID 1622739