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

*Links on SpectraBase are not permalinks.
bis[ S-1-(methoxycarbonyl)ethyl] (-) 3-hexanooxepine-4,5-dicarboxylate
SpectraBase Compound ID 1ZrG8VNh8Ch
InChI InChI=1S/C22H28O9/c1-13(19(23)27-3)30-21(25)17-15-9-7-5-6-8-10-16(12-29-11-15)18(17)22(26)31-14(2)20(24)28-4/h11-14H,5-10H2,1-4H3/t13-,14-/m0/s1
InChIKey MBZKAGQHSGHKBG-KBPBESRZSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H28O9
Exact Mass 436.173332 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 63N0wWBLNCd
Name bis[ S-1-(methoxycarbonyl)ethyl] (-) 3-hexanooxepine-4,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O9
InChI InChI=1S/C22H28O9/c1-13(19(23)27-3)30-21(25)17-15-9-7-5-6-8-10-16(12-29-11-15)18(17)22(26)31-14(2)20(24)28-4/h11-14H,5-10H2,1-4H3/t13-,14-/m0/s1
InChIKey MBZKAGQHSGHKBG-KBPBESRZSA-N
Molecular Weight 436.457 g/mol
SMILES C1(=C(C(O[C@](C(=O)OC)(C)[H])=O)C2=COC=C1CCCCCC2)C(O[C@](C(=O)OC)(C)[H])=O
SPLASH splash10-0a4i-9000100000-1f8f17f8a039baf459a0
Source of Spectrum K-126-1737-2
Synonyms bis[(1S)-2-methoxy-1-methyl-2-oxoethyl]10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
Wiley ID 1383447