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Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 3-acetyl-, dimethyl ester, exo-
SpectraBase Compound ID 2nl6Jd2k5ID
InChI InChI=1S/C13H16O5/c1-7(14)10-8-4-5-9(6-8)13(10,11(15)17-2)12(16)18-3/h4-5,8-10H,6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKey YEMPDBPSOYBOKB-LPEHRKFASA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzsRxExafQ0
Name Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 3-acetyl-, dimethyl ester, exo-
CAS Registry Number 119582-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-7(14)10-8-4-5-9(6-8)13(10,11(15)17-2)12(16)18-3/h4-5,8-10H,6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKey YEMPDBPSOYBOKB-LPEHRKFASA-N
Molecular Weight 252.266 g/mol
SMILES C1([C@]2(C=C[C@]([C@]1(C(=O)C)[H])(C2)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-05mo-9600000000-1fa0ac590a2f9f8f0d9b
Source of Spectrum B-40-1838-8
Synonyms Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 3-acetyl-, dimethyl ester, endo- Dimethyl 3-acetylbicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate Dimethyl endo-3-acetylbicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate Dimethyl exo-3-acetylbicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate
Wiley ID 1255364