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2-(pentacyclo[5.3.0.0(2,6).0(4,10).0(5,8)]dec-3'-ylidene)acetic acid
SpectraBase Compound ID IyKFbNaEs16
InChI InChI=1S/C12H12O2/c13-6(14)2-5-7-3-1-4-8(7)12-10(4)9(3)11(5)12/h2-4,7-12H,1H2,(H,13,14)/b5-2+/t3-,4+,7+,8+,9+,10-,11+,12-/m1/s1
InChIKey PKSHNGRUPJQYJW-GORDUTHDSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95bzDlfVrYj
Name 2-(pentacyclo[5.3.0.0(2,6).0(4,10).0(5,8)]dec-3'-ylidene)acetic acid
CAS Registry Number 126396-05-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c13-6(14)2-5-7-3-1-4-8(7)12-10(4)9(3)11(5)12/h2-4,7-12H,1H2,(H,13,14)/b5-2+/t3-,4+,7+,8+,9+,10-,11+,12-/m1/s1
InChIKey PKSHNGRUPJQYJW-GORDUTHDSA-N
Molecular Weight 188.226 g/mol
SMILES OC(\C=C/1[C@]2([C@@]3([C@@]4(C[C@]2([C@@]2([C@]1([C@]3([C@]42[H])[H])[H])[H])[H])[H])[H])[H])=O
SPLASH splash10-014i-9500000000-934a038109ee161370bc
Source of Spectrum B-42-1337-7
Synonyms anti-[(13)C-1]-2-(pentacyclo[5.3.0.0(2,6).0(4,10).0(5,8)]dec-3'-ylidene)acetic acid (2E)-pentacyclo[5.3.0.0(2,5).0(3,9).0(4,8)]dec-6-ylideneethanoic acid
Wiley ID 1184907