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3-(3',4',4'-Trimethyl-3'b,4',4'a,5'-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1'-yl)acetic acid
SpectraBase Compound ID 3ZbxMQB9jpA
InChI InChI=1S/C12H16N2O2/c1-6-10-8(14(13-6)5-9(15)16)4-7-11(10)12(7,2)3/h7,11H,4-5H2,1-3H3,(H,15,16)
InChIKey RVIRSEHMYVUREV-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LT51nAI76Y
Name 3-(3',4',4'-Trimethyl-3'b,4',4'a,5'-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1'-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c1-6-10-8(14(13-6)5-9(15)16)4-7-11(10)12(7,2)3/h7,11H,4-5H2,1-3H3,(H,15,16)
InChIKey RVIRSEHMYVUREV-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES OC(C[n]1c2c(C3C(C)(C)C3C2)c(n1)C)=O
SPLASH splash10-0a4i-2980000000-6c70442a731f8d5050b0
Source of Spectrum QF-49-1445-4
Wiley ID 834258