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4-Isoavenaciolide

View entire compound with spectra: 2 MS (GC)

4-Isoavenaciolide
SpectraBase Compound ID Ak3XZkzVV1e
InChI InChI=1S/C15H22O4/c1-3-4-5-6-7-8-9-11-12-10(2)14(16)19-13(12)15(17)18-11/h11-13H,2-9H2,1H3/t11-,12+,13+/m1/s1
InChIKey GSTQYRQXFPSWSH-AGIUHOORSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 717CHpaHsyn
Name 4-Isoavenaciolide
CAS Registry Number 33644-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-3-4-5-6-7-8-9-11-12-10(2)14(16)19-13(12)15(17)18-11/h11-13H,2-9H2,1H3/t11-,12+,13+/m1/s1
InChIKey GSTQYRQXFPSWSH-AGIUHOORSA-N
Molecular Weight 266.337 g/mol
SMILES [C@@]12([C@@](C(=C)C(O2)=O)([C@@](CCCCCCCC)(OC1=O)[H])[H])[H]
SPLASH splash10-001j-9700000000-7bbcf70360b54ed561dd
Source of Spectrum W5-0-0-0
Wiley ID 1270029