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1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-7-methoxy-5,8-dioxo-, methyl ester, (1.alpha.,4a.beta.,8a.beta.)-
SpectraBase Compound ID LRZBGlWIQF2
InChI InChI=1S/C13H14O5/c1-17-10-6-9(14)7-4-3-5-8(13(16)18-2)11(7)12(10)15/h3,5-8,11H,4H2,1-2H3/t7-,8-,11+/m1/s1
InChIKey BTIDAHFTPWKDFU-XLDPMVHQSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15nswhm3qXh
Name 1-Naphthalenecarboxylic acid, 1,4,4a,5,8,8a-hexahydro-7-methoxy-5,8-dioxo-, methyl ester, (1.alpha.,4a.beta.,8a.beta.)-
Alternate Name(s) 1,4,4a,5,8,8a.beta.-hexahydro-7-methoxy-5,8-dioxo-1.alpha.-naphthalenecarboxylic acid methyl ester Methyl (1R,4aS,8aS)-7-methoxy-5,8-dioxo-1,4,4a,5,8,8a-hexahydro-1-naphthalenecarboxylate
CAS Registry Number 63780-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-17-10-6-9(14)7-4-3-5-8(13(16)18-2)11(7)12(10)15/h3,5-8,11H,4H2,1-2H3/t7-,8-,11+/m1/s1
InChIKey BTIDAHFTPWKDFU-XLDPMVHQSA-N
Molecular Weight 250.250 g/mol
SMILES [C@]12(C(C(OC)=CC([C@]2(CC=C[C@]1(C(=O)OC)[H])[H])=O)=O)[H]
SPLASH splash10-0fkc-0590000000-6f24db6144a9315e0f8d
Source of Spectrum K-110-2043-0
Wiley ID 1253077