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1H-Indene-5-carboxylic acid, 2,3,3a,4-tetrahydro-1-methyl-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID 9Wr3O5bBI9K
InChI InChI=1S/C12H16O2/c1-8-3-4-9-7-10(12(13)14-2)5-6-11(8)9/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+/m0/s1
InChIKey KVYRSWKUPBZTAN-DTWKUNHWSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnHed5CZhot
Name 1H-Indene-5-carboxylic acid, 2,3,3a,4-tetrahydro-1-methyl-, methyl ester, cis-(.+-.)-
CAS Registry Number 126090-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-8-3-4-9-7-10(12(13)14-2)5-6-11(8)9/h5-6,8-9H,3-4,7H2,1-2H3/t8-,9+/m0/s1
InChIKey KVYRSWKUPBZTAN-DTWKUNHWSA-N
Molecular Weight 192.258 g/mol
SMILES C12=CC=C(C[C@]2(CC[C@@]1(C)[H])[H])C(=O)OC
SPLASH splash10-0006-5900000000-3a688f559ed88d3cbaaa
Source of Spectrum H-72-901-33
Synonyms Methyl (1S,3aR)-1-methyl-2,3,3a,4-tetrahydro-1H-indene-5-carboxylate Methyl 2,3,3a,4-tetrahydro-1-methyl-1H-indene-5-carboxylate
Wiley ID 1188710