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TETRACYCLO[7.3.0.0E3,8.0E1,3]DODECA-10-ONE, 2-alpha-CARBOETHOXY-2-beta-CYANO-, (cis-syn-cis)
SpectraBase Compound ID CXjdO9jZdhY
InChI InChI=1S/C11H16O.C3H6O2.C2H3N/c12-10-6-5-9-7-3-1-2-4-8(7)11(9)10;1-2-5-3-4;1-2-3/h7-9,11H,1-6H2;3H,2H2,1H3;1H3
InChIKey HBGUVBTUQVMTKC-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSfYxJ0y7OD
Name TETRACYCLO[7.3.0.0E3,8.0E1,3]DODECA-10-ONE, 2-alpha-CARBOETHOXY-2-beta-CYANO-, (cis-syn-cis)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C11H16O.C3H6O2.C2H3N/c12-10-6-5-9-7-3-1-2-4-8(7)11(9)10;1-2-5-3-4;1-2-3/h7-9,11H,1-6H2;3H,2H2,1H3;1H3
InChIKey HBGUVBTUQVMTKC-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 279.1828
SMILES C(OCC)=O.C1(=O)C2C3C(C2CC1)CCCC3.C(#N)C
SPLASH splash10-0pdi-5920000000-810629ac9e9cf7645d8c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany