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Ethyl 8-chloro-1-formyl-6,7,8,9-tetrahydro-3-methyl-5H-pyrrolo[1,2-a]azepine-2- carboxylate
SpectraBase Compound ID JItktoy2s1G
InChI InChI=1S/C14H18ClNO3/c1-3-19-14(18)13-9(2)16-6-4-5-10(15)7-12(16)11(13)8-17/h8,10H,3-7H2,1-2H3
InChIKey DXHPAZJLHLUZOJ-UHFFFAOYSA-N
Mol Weight 283.75 g/mol
Molecular Formula C14H18ClNO3
Exact Mass 283.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFLtjsfKbCv
Name Ethyl 8-chloro-1-formyl-6,7,8,9-tetrahydro-3-methyl-5H-pyrrolo[1,2-a]azepine-2- carboxylate
Alternate Name(s) Ethyl 8-chloro-1-formyl-3-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18ClNO3
InChI InChI=1S/C14H18ClNO3/c1-3-19-14(18)13-9(2)16-6-4-5-10(15)7-12(16)11(13)8-17/h8,10H,3-7H2,1-2H3
InChIKey DXHPAZJLHLUZOJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol901498f
Molecular Weight 283.755 g/mol
SMILES c1(C)c(c(c2[n]1CCCC(C2)Cl)C=O)C(OCC)=O
SPLASH splash10-0udi-3090000000-547342772ab2890bda72
Source of Spectrum A1-11-3902/SMS23-3q
Wiley ID 1757259