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4'-Acetyl-b9c3

View entire compound with spectra: 1 MS (GC)

4'-Acetyl-b9c3
SpectraBase Compound ID LBmw6qo5Aus
InChI InChI=1S/C12H14O4/c1-9(13)10-2-3-11-12(8-10)16-7-5-14-4-6-15-11/h2-3,8H,4-7H2,1H3
InChIKey HVBJDRVPWMGWIG-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47ikd2y71jz
Name 4'-Acetyl-b9c3
Alternate Name(s) 4'-Acetyl-1,4,7-trioxabenzo[8,9-1',2']cyclononane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-9(13)10-2-3-11-12(8-10)16-7-5-14-4-6-15-11/h2-3,8H,4-7H2,1H3
InChIKey HVBJDRVPWMGWIG-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES c12cc(C(=O)C)ccc2OCCOCCO1
SPLASH splash10-03di-4920000000-bb07704f98e545a7cf3f
Source of Spectrum I-82-1717-4
Wiley ID 1551677