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

*Links on SpectraBase are not permalinks.
Multiflorin (1,3,8-trioxa-4-oxo-6-carbomethoxyacenaphthylene)
SpectraBase Compound ID 1VkN9i3uc4K
InChI InChI=1S/C11H12O6/c1-14-10(13)6-3-15-11-9-5(6)2-8(12)17-7(9)4-16-11/h3,5,7,9,11H,2,4H2,1H3/t5-,7+,9+,11-/m1/s1
InChIKey YUPVNRBAQHISRY-KXVIJTBYSA-N
Mol Weight 240.21 g/mol
Molecular Formula C11H12O6
Exact Mass 240.063388 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 GwyCFvyRvJs
Name Multiflorin (1,3,8-trioxa-4-oxo-6-carbomethoxyacenaphthylene)
Alternate Name(s) (2aR,5aS,8aS,8bS)-4-Oxo-2,2a,5,5a,8a,8b-hexahydro-4H-1,3,8-trioxa-acenaphthylene-6-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O6
InChI InChI=1S/C11H12O6/c1-14-10(13)6-3-15-11-9-5(6)2-8(12)17-7(9)4-16-11/h3,5,7,9,11H,2,4H2,1H3/t5-,7+,9+,11-/m1/s1
InChIKey YUPVNRBAQHISRY-KXVIJTBYSA-N
Molecular Weight 240.211 g/mol
SMILES C=1([C@@]2([C@]3([C@](CO[C@]3(OC1)[H])(OC(C2)=O)[H])[H])[H])C(=O)OC
SPLASH splash10-0f7c-0920000000-9978d705b849ae009f5a
Source of Spectrum QA-41-475-1
Wiley ID 861938