For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Pestalochromone B

View entire compound with spectra: 1 MS (GC)

Pestalochromone B
SpectraBase Compound ID F4WlReMNSIb
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+/m1/s1
InChIKey DEZSZDHQEFMIGP-CDLYGTGVSA-N
Mol Weight 276.72 g/mol
Molecular Formula C12H17ClO5
Exact Mass 276.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3kCWnGp12u
Name Pestalochromone B
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+/m1/s1
InChIKey DEZSZDHQEFMIGP-CDLYGTGVSA-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 splash10-029t-0690000000-ce367e4be6db17a5ee6d
Source of Spectrum F-68-2305-6
Wiley ID 1708001