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HQVBDUZROQMWRN-NWDGAFQWSA-N

View entire compound with spectra: 2 NMR, and 2 MS (GC)

HQVBDUZROQMWRN-NWDGAFQWSA-N
SpectraBase Compound ID 2YuCDPDexiL
InChI InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12+/m0/s1
InChIKey HQVBDUZROQMWRN-NWDGAFQWSA-N
Mol Weight 368.43 g/mol
Molecular Formula C22H24O5
Exact Mass 368.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C10Le6rUnV5
Name 12-Oxocalanolide C
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O5
InChI InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12+/m0/s1
InChIKey HQVBDUZROQMWRN-NWDGAFQWSA-N
Molecular Weight 368.429 g/mol
SMILES c12c(c3C=CC(Oc3c3c2OC(C=C3CCC)=O)(C)C)O[C@@]([C@@](C1=O)(C)[H])(C)[H]
SPLASH splash10-0udj-0049000000-46b4df4e225eb5c7cd91
Source of Spectrum E1-35-2743-7
Wiley ID 1574439