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(6S,6aR,8R,9R,11S)-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepin-9-yl formate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(6S,6aR,8R,9R,11S)-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepin-9-yl formate
SpectraBase Compound ID KTWHTrEocza
InChI InChI=1S/C18H19NO5/c1-21-15-5-14-12(4-17(15)22-8-20)13-7-19(14)6-10-2-16-18(3-11(10)13)24-9-23-16/h2-4,8,13-15,17H,5-7,9H2,1H3/t13-,14+,15+,17+/m0/s1
InChIKey QCINKDLMMGVXGY-KLZNWCGWSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pFo7i7CJO2
Name (6S,6ar,8R,9R,11S)-8-Methoxy-5,6A,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-E]benzo[B]azepin-9-yl formate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.126322711 u
Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-21-15-5-14-12(4-17(15)22-8-20)13-7-19(14)6-10-2-16-18(3-11(10)13)24-9-23-16/h2-4,8,13-15,17H,5-7,9H2,1H3/t13-,14+,15+,17+/m0/s1
InChIKey QCINKDLMMGVXGY-KLZNWCGWSA-N
Molecular Weight 329.352 g/mol
SMILES C1[C@]2([H])C(=C[C@]([C@@]1(OC)[H])(OC=O)[H])[C@@]1(C3=C(CN2C1)C=C1C(=C3)OCO1)[H]