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

*Links on SpectraBase are not permalinks.
12-CHLORO-ISOPLAGIOCHIN-D
SpectraBase Compound ID 1VSEbptSxJi
InChI InChI=1S/C28H23ClO4/c29-24-15-21-19(14-28(24)33)7-3-17-6-10-26(31)23(12-17)22-11-16(5-9-25(22)30)1-2-18-4-8-20(21)27(32)13-18/h4-6,8-15,30-33H,1-3,7H2
InChIKey ZPHYFJROBBMHQA-UHFFFAOYSA-N
Mol Weight 458.94 g/mol
Molecular Formula C28H23ClO4
Exact Mass 458.128487 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 2yoTg7jF61y
Name 12-Chlorisoplagiochin D
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23ClO4
InChI InChI=1S/C28H23ClO4/c29-24-15-21-19(14-28(24)33)7-3-17-6-10-26(31)23(12-17)22-11-16(5-9-25(22)30)1-2-18-4-8-20(21)27(32)13-18/h4-6,8-15,30-33H,1-3,7H2
InChIKey ZPHYFJROBBMHQA-UHFFFAOYSA-N
Molecular Weight 458.941 g/mol
SMILES Oc1c(cc-2c(CCc3cc(-c4c(ccc(CCc5cc(c2cc5)O)c4)O)c(cc3)O)c1)Cl
SPLASH splash10-03di-0000900000-294d2ce85187d75d5cd0
Source of Spectrum CV-2002-2510-3
Wiley ID 1610483