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1-Cyclohexen-1-ol, 4-nitrobenzoate
SpectraBase Compound ID YJ34iEo7qt
InChI InChI=1S/C13H13NO4/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h4,6-9H,1-3,5H2
InChIKey KYHLSQDARLCMNY-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcPN25Wtmc0
Name 1-Cyclohexen-1-ol, 4-nitrobenzoate
Alternate Name(s) 1-cyclohexen-1-yl 4-nitrobenzoate Cyclohex-1-enyl p-nitrobenzoate
CAS Registry Number 66049-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h4,6-9H,1-3,5H2
InChIKey KYHLSQDARLCMNY-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES c1(N(=O)=O)ccc(C(OC2=CCCCC2)=O)cc1
SPLASH splash10-0udi-0900000000-209f8bf897128e76fed9
Source of Spectrum KC-1977-17-1895
Wiley ID 1249925