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1H-Cyclopropa[de]-2-benzopyran-3a(3H)-carboxylic acid, 3b,6,6a,6b-tetrahydro-6a-(hydroxymethyl)-3-oxo-, methyl ester, (3a.alpha.,3b.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID 148cyGAiNqR
InChI InChI=1S/C12H14O5/c1-16-10(14)8-6-3-2-4-7-9(17-11(8)15)12(6,7)5-13/h2,4,6-9,13H,3,5H2,1H3/t6?,7?,8-,9?,12+/m1/s1
InChIKey NTVKPTZBRHFWTR-SDIXNSBHSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Cr2TOHD7bC
Name 1H-Cyclopropa[de]-2-benzopyran-3a(3H)-carboxylic acid, 3b,6,6a,6b-tetrahydro-6a-(hydroxymethyl)-3-oxo-, methyl ester, (3a.alpha.,3b.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
Alternate Name(s) Methyl (1R,6bS)-6b-(hydroxymethyl)-2-oxo-1,3a,3b,6,6a,6b-hexahydro-2H-3-oxacyclopropa[de]naphthalene-1-carboxylate Methyl 1.alpha.-hydroxymethyl-3-oxatricyclo[4.4.0.0(1,10)]deca-8-en-4-one-5.beta.-carboxylic acid
CAS Registry Number 74269-74-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-16-10(14)8-6-3-2-4-7-9(17-11(8)15)12(6,7)5-13/h2,4,6-9,13H,3,5H2,1H3/t6?,7?,8-,9?,12+/m1/s1
InChIKey NTVKPTZBRHFWTR-SDIXNSBHSA-N
Molecular Weight 238.239 g/mol
SMILES OC[C@@]12C3OC(=O)[C@](C2CC=CC13)(C(=O)OC)[H]
SPLASH splash10-0a4l-6090000000-798c0ac48fd836c64657
Source of Spectrum F-35-2394-0
Wiley ID 1240278