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Pestalochromone A

View entire compound with spectra: 1 MS (GC)

Pestalochromone A
SpectraBase Compound ID DnmnsPN0mLO
InChI InChI=1S/C12H17ClO5/c1-12(2)4-5(14)6-10(18-12)7(13)8(15)9(16)11(6)17-3/h7-9,11,15-16H,4H2,1-3H3/t7-,8+,9+,11-/m0/s1
InChIKey DEZSZDHQEFMIGP-SJQPAMGKSA-N
Mol Weight 276.72 g/mol
Molecular Formula C12H17ClO5
Exact Mass 276.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNaRGYHOYKq
Name Pestalochromone A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17ClO5
InChI InChI=1S/C12H17ClO5/c1-12(2)4-5(14)6-10(18-12)7(13)8(15)9(16)11(6)17-3/h7-9,11,15-16H,4H2,1-3H3/t7-,8+,9+,11-/m0/s1
InChIKey DEZSZDHQEFMIGP-SJQPAMGKSA-N
Molecular Weight 276.716 g/mol
SMILES O[C@@]1([C@@](C2=C([C@@]([C@@]1(O)[H])(OC)[H])C(CC(O2)(C)C)=O)(Cl)[H])[H]
SPLASH splash10-02a2-0890000000-1ff5a92bf4c4c3cd1ccb
Source of Spectrum F-68-2305-5
Wiley ID 1708002