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1,4,6-Cycloheptatriene-1-carboxylic acid, 3-tricyclo[3.3.1.1(3,7)]decylidene-, methyl ester
SpectraBase Compound ID 1U8l16TJvwb
InChI InChI=1S/C19H22O2/c1-21-19(20)15-5-3-2-4-14(11-15)18-16-7-12-6-13(9-16)10-17(18)8-12/h2-5,11-13,16-17H,6-10H2,1H3/b18-14-/t12-,13?,16-,17+/m1/s1
InChIKey BCKNYIMBWSRGNP-RZRBUQOKSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7KY0IStugZ
Name 1,4,6-Cycloheptatriene-1-carboxylic acid, 3-tricyclo[3.3.1.1(3,7)]decylidene-, methyl ester
CAS Registry Number 91894-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-21-19(20)15-5-3-2-4-14(11-15)18-16-7-12-6-13(9-16)10-17(18)8-12/h2-5,11-13,16-17H,6-10H2,1H3/b18-14-/t12-,13?,16-,17+/m1/s1
InChIKey BCKNYIMBWSRGNP-RZRBUQOKSA-N
Molecular Weight 282.383 g/mol
SMILES [C@]12(\C(=C\3C=C(C(=O)OC)C=CC=C3)[C@]3(CC(C1)C[C@](C3)(C2)[H])[H])[H]
SPLASH splash10-0159-7910000000-470c234ba0cc0afadc2f
Source of Spectrum K-117-2403-0
Synonyms Methyl 3-tricyclo[3.3.1.1(3,7)]dec-2-ylidene-1,4,6-cycloheptatriene-1-carboxylate Methyl 7-(2-adamantylidene)-1,3,5-cycloheptatriene-2-carboxylate
Wiley ID 1286391