(3aS,4aR,7aS,9bS)-3-Ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylic acid

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Systematic / IUPAC Name: (3aS,4aR,7aS,9bS)-3-Ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylic acid

ID: Reference7416

Other Names: 2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethyl-3,3a,7a,9b-tetrahydro-2-oxo-, (3aS,4aR,7aS,9bS)-

Formula: C14H14O6

Spectral Data

(3aS,4aR,7aS,9bS)-3-Ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 3
No. of Spectra 9303
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/19/2018 12:05:40 PM
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Identificators

InChI InChI=1S/C14H14O6/c1-2-6-10-14(20-12(6)17)4-3-7-8(11(15)16)5-18-13(19-10)9(7)14/h3-7,9-10,13H,2H2,1H3,(H,15,16)/t6?,7-,9-,10?,13-,14+/m1/s1
InChI Key GRJLGDWPUYQSHL-LOJYNRMOSA-N
Canonical SMILES CCC1C2C3(C=CC4C3C(O2)OC=C4C(=O)O)OC1=O
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Other Names 2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethyl-3,3a,7a,9b-tetrahydro-2-oxo-, (3aS,4aR,7aS,9bS)-

In Other Databases

ChemSpider 22913025
PubChem 23844047