For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Oxa-7-azatricyclo[4.4.0.0(3,8)]decane-7-carboxylic acid, 4-(acetyloxy)-, ethyl ester, stereoisomer
SpectraBase Compound ID 6fOPwXi01pY
InChI InChI=1S/C13H19NO5/c1-3-17-13(16)14-8-4-5-10-9(14)6-11(12(8)19-10)18-7(2)15/h8-12H,3-6H2,1-2H3/t8-,9-,10-,11?,12+/m1/s1
InChIKey HTWJKNIYXGKYOK-FJSQNCIDSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F9dvY1Tu6dK
Name 2-Oxa-7-azatricyclo[4.4.0.0(3,8)]decane-7-carboxylic acid, 4-(acetyloxy)-, ethyl ester, stereoisomer
Alternate Name(s) Ethyl 4-(acetyloxy)-2-oxa-7-azatricyclo[4.4.0.0(3,8)]decane-7-carboxylate N(7)-ethoxycarbonyl-10n(7)-acetoxy-2-oxa-7-aza-twistane
CAS Registry Number 49656-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-3-17-13(16)14-8-4-5-10-9(14)6-11(12(8)19-10)18-7(2)15/h8-12H,3-6H2,1-2H3/t8-,9-,10-,11?,12+/m1/s1
InChIKey HTWJKNIYXGKYOK-FJSQNCIDSA-N
Molecular Weight 269.297 g/mol
SMILES [C@@]12(N([C@]3([C@@](C(C2)OC(=O)C)(O[C@@]1(CC3)[H])[H])[H])C(=O)OCC)[H]
SPLASH splash10-0gvo-6940000000-158bcf379ecceb6841eb
Source of Spectrum H-56-2005-31
Wiley ID 1273081