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3-Acetyl-9,11-diacetoxyspiro[3-aza-10-oxatricyclo[6.2.1.0(1,6)]undecane-4,1'-cycloheptane]
SpectraBase Compound ID 7Y9TK6Hg3CG
InChI InChI=1S/C21H31NO6/c1-13(23)22-12-21-16(11-20(22)8-6-4-5-7-9-20)10-17(18(21)26-14(2)24)19(28-21)27-15(3)25/h16-19H,4-12H2,1-3H3/t16?,17-,18-,19?,21+/m1/s1
InChIKey VSBYMBDIIUKFJU-JEUXTCGHSA-N
Mol Weight 393.48 g/mol
Molecular Formula C21H31NO6
Exact Mass 393.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3375c6soN83
Name 3-Acetyl-9,11-diacetoxyspiro[3-aza-10-oxatricyclo[6.2.1.0(1,6)]undecane-4,1'-cycloheptane]
Alternate Name(s) 3'-acetyl-9'-(acetyloxy)-10'-oxa-3'-azaspiro[cycloheptane-1,4'-tricyclo[6.2.1.0(1,6)]undecane]-11'-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-13(23)22-12-21-16(11-20(22)8-6-4-5-7-9-20)10-17(18(21)26-14(2)24)19(28-21)27-15(3)25/h16-19H,4-12H2,1-3H3/t16?,17-,18-,19?,21+/m1/s1
InChIKey VSBYMBDIIUKFJU-JEUXTCGHSA-N
Molecular Weight 393.480 g/mol
SMILES [C@]123CN(C4(CC3C[C@@](C(O1)OC(=O)C)([C@]2(OC(=O)C)[H])[H])CCCCCC4)C(=O)C
SPLASH splash10-00dl-9135000000-aecdeaf98ecf6caba96b
Source of Spectrum F-69-437-13
Wiley ID 1594456