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(1R,7R)-1-ETHOXYCARBONYL-4-OXO-3-OXABICYCLO-[5.4.0[UNDEC-8-ENE

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

(1R,7R)-1-ETHOXYCARBONYL-4-OXO-3-OXABICYCLO-[5.4.0[UNDEC-8-ENE
SpectraBase Compound ID 4ZYY9TGIaCx
InChI InChI=1S/C13H18O4/c1-2-16-12(15)13-8-4-3-5-10(13)6-7-11(14)17-9-13/h3,5,10H,2,4,6-9H2,1H3/t10-,13+/m1/s1
InChIKey UMYQRHRLRJPRRG-MFKMUULPSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1omkc7wB9nT
Name (5aS,9aR)-3-keto-1,4,5,5a,8,9-hexahydro-2-benzoxepin-9a-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-2-16-12(15)13-8-4-3-5-10(13)6-7-11(14)17-9-13/h3,5,10H,2,4,6-9H2,1H3/t10-,13+/m1/s1
InChIKey UMYQRHRLRJPRRG-MFKMUULPSA-N
Molecular Weight 238.283 g/mol
SMILES [C@]12(C(=O)OCC)COC(=O)CC[C@]2(C=CCC1)[H]
SPLASH splash10-00dj-0910000000-b65a848d9c251a15c755
Source of Spectrum KC-0-4050-19
Synonyms (5aS,9aR)-3-oxo-1,4,5,5a,8,9-hexahydro-2-benzoxepin-9a-carboxylic acid ethyl ester Ethyl (5aS,9aR)-3-oxidanylidene-1,4,5,5a,8,9-hexahydro-2-benzoxepine-9a-carboxylate Ethyl (5aS,9aR)-3-oxo-1,4,5,5a,8,9-hexahydro-2-benzoxepine-9a-carboxylate
Wiley ID 827090