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Ferulol-(4-acetoxyangelicate)
SpectraBase Compound ID CjsYkgVm6cf
InChI InChI=1S/C17H22O5/c1-11(6-7-21-13(3)19)16(20)22-15-8-14(10-18)17(4,5)9-12(15)2/h6,8-10,15H,7H2,1-5H3/t15-/m0/s1
InChIKey WBQKLOHMZZWZHA-HNNXBMFYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWlGVj1hXlM
Name Ferulol-(4-acetoxyangelicate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-11(6-7-21-13(3)19)16(20)22-15-8-14(10-18)17(4,5)9-12(15)2/h6,8-10,15H,7H2,1-5H3/t15-/m0/s1
InChIKey WBQKLOHMZZWZHA-HNNXBMFYSA-N
Literature Reference DOI 10.1002/cber.19761090240
Molecular Weight 306.358 g/mol
SMILES C=1(C(C=C([C@](C1)(OC(=O)C(C)=CCOC(C)=O)[H])C)(C)C)C=O
SPLASH splash10-001i-9200000000-948edf5f4968a01b8dee
Source of Spectrum K-109-790-10
Synonyms (S)-5-formyl-2,4,4-trimethylcyclohexa-2,5-dien-1-yl 4-acetoxy-2-methylbut-2-enoate
Wiley ID 1794073