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3-CHLORO-2-CYANOBICYCLO[3.2.1]OCT-3-ENE-6-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 4sHE3zbmziN
InChI InChI=1S/C9H10ClN.C2H4O2/c10-9-4-6-1-2-7(3-6)8(9)5-11;1-4-2-3/h4,6-8H,1-3H2;2H,1H3/t6-,7+,8?;/m0./s1
InChIKey ZCYQUUDFHDIDHA-GZVYQWMRSA-N
Mol Weight 227.69 g/mol
Molecular Formula C11H14ClNO2
Exact Mass 227.071306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXEZBQ9Qr28
Name 3-CHLORO-2-CYANOBICYCLO[3.2.1]OCT-3-ENE-6-CARBOXYLIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12NO2Cl
InChI InChI=1S/C9H10ClN.C2H4O2/c10-9-4-6-1-2-7(3-6)8(9)5-11;1-4-2-3/h4,6-8H,1-3H2;2H,1H3/t6-,7+,8?;/m0./s1
InChIKey ZCYQUUDFHDIDHA-GZVYQWMRSA-N
Molecular Weight 227.0710
SMILES C(=O)OC.C1[C@]2(C=C(Cl)C([C@@]1(CC2)[H])C#N)[H]
SPLASH splash10-000i-9200000000-2078166f4dd69445c48a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany