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2-(1-Methoxycarbonyl-ethyl)-5-formyl-11-oxa-bicyclo[7.2.1]dodecan-5,9(12)-dien-10-one
SpectraBase Compound ID DNA0gX3wqxb
InChI InChI=1S/C16H20O5/c1-10(15(18)20-2)13-7-6-11(9-17)4-3-5-12-8-14(13)21-16(12)19/h4,8-10,13-14H,3,5-7H2,1-2H3/b11-4+
InChIKey MKJVICCXLBFZSI-NYYWCZLTSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVJccfnRYQb
Name 2-(1-Methoxycarbonyl-ethyl)-5-formyl-11-oxa-bicyclo[7.2.1]dodecan-5,9(12)-dien-10-one
Alternate Name(s) Methyl 2-[5-formyl-11-oxo-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-8-yl]propanoate
CAS Registry Number 106356-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-10(15(18)20-2)13-7-6-11(9-17)4-3-5-12-8-14(13)21-16(12)19/h4,8-10,13-14H,3,5-7H2,1-2H3/b11-4+
InChIKey MKJVICCXLBFZSI-NYYWCZLTSA-N
Molecular Weight 292.331 g/mol
SMILES C12OC(=O)C(=C2)CC\C=C/(CCC1C(C(=O)OC)C)C=O
SPLASH splash10-01p2-0920000000-8e9524d106735d5ce406
Source of Spectrum J-52-330-8
Wiley ID 1295389