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15-Hydroperoxy-amorph-4-en-12-oic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

15-Hydroperoxy-amorph-4-en-12-oic acid methyl ester
SpectraBase Compound ID 4QIRatf2Yuc
InChI InChI=1S/C16H26O4/c1-10-4-6-14(11(2)16(17)19-3)15-8-12(9-20-18)5-7-13(10)15/h8,10-11,13-15,18H,4-7,9H2,1-3H3/t10-,11-,13+,14+,15+/m1/s1
InChIKey LDGKCIJSOLJKTG-MFHWUAJNSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHwdDsWvhjo
Name 15-Hydroperoxy-amorph-4-en-12-oic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.183109313 u
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-10-4-6-14(11(2)16(17)19-3)15-8-12(9-20-18)5-7-13(10)15/h8,10-11,13-15,18H,4-7,9H2,1-3H3/t10-,11-,13+,14+,15+/m1/s1
InChIKey LDGKCIJSOLJKTG-MFHWUAJNSA-N
SMILES [C@@]12([C@]([C@](C(=O)OC)(C)[H])(CC[C@]([C@@]2(CCC(=C1)COO)[H])(C)[H])[H])[H]