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(2S,3R)-cis-endo-3-(hydroxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid lactone
SpectraBase Compound ID JFSKa8DYcWz
InChI InChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/t5-,6+,7-,8+/m1/s1
InChIKey DGTBPTXOXUGLAH-CWKFCGSDSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DNLjiAqCmt
Name (2S,3R)-cis-endo-3-(hydroxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid lactone
Alternate Name(s) (1S,2S,6R,7R)-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
CAS Registry Number 100937-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h5-8H,1-4H2/t5-,6+,7-,8+/m1/s1
InChIKey DGTBPTXOXUGLAH-CWKFCGSDSA-N
Molecular Weight 152.193 g/mol
SMILES [C@]12([C@@]3(C[C@]([C@]2(COC1=O)[H])(CC3)[H])[H])[H]
SPLASH splash10-014i-9000000000-a14d3bf97cfb2af062d0
Source of Spectrum F-45-7314-3
Wiley ID 1149096