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2,3,5,6,8,9-Hexahydro-1-(pivaloyloxy)-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine
SpectraBase Compound ID 294Ny2uasta
InChI InChI=1S/C22H27NO4/c1-21(2,3)20(24)27-16-5-8-22-7-4-9-23(22)10-6-14-11-17-18(26-13-25-17)12-15(14)19(16)22/h11-12H,4-10,13H2,1-3H3
InChIKey HTVAFMRMFADDHR-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhU2aFlAMDI
Name 2,3,5,6,8,9-Hexahydro-1-(pivaloyloxy)-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine
Alternate Name(s) 2,3,5,6,8,9-hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-yl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-21(2,3)20(24)27-16-5-8-22-7-4-9-23(22)10-6-14-11-17-18(26-13-25-17)12-15(14)19(16)22/h11-12H,4-10,13H2,1-3H3
InChIKey HTVAFMRMFADDHR-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES C=12c3c(cc4c(c3)OCO4)CCN3C2(CCC1OC(C(C)(C)C)=O)CCC3
SPLASH splash10-05o0-2095000000-2f1af35a25c3784bd9c8
Source of Spectrum J-61-7345-20
Wiley ID 1353779