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3-Acetoxybicyclo[4.4.0]nonane-7-carboxylic acid
SpectraBase Compound ID 4MXB8yOIzEW
InChI InChI=1S/C12H18O4/c1-7(13)16-9-4-2-8-3-5-10(12(14)15)11(8)6-9/h8-11H,2-6H2,1H3,(H,14,15)/t8?,9-,10-,11?/m0/s1
InChIKey WRHXLBSWBLSHIV-SEQHWMEXSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwWbKuqAT7E
Name 3-Acetoxybicyclo[4.4.0]nonane-7-carboxylic acid
Alternate Name(s) (1S,6S)-6-Acetoxy-octahydro-indene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7(13)16-9-4-2-8-3-5-10(12(14)15)11(8)6-9/h8-11H,2-6H2,1H3,(H,14,15)/t8?,9-,10-,11?/m0/s1
InChIKey WRHXLBSWBLSHIV-SEQHWMEXSA-N
Molecular Weight 226.272 g/mol
SMILES OC([C@@]1(C2C(CC1)CC[C@](OC(=O)C)(C2)[H])[H])=O
SPLASH splash10-001i-9700000000-5682c880766fb6c8b870
Source of Spectrum OP-25-240-8
Wiley ID 850503