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(1-acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate
SpectraBase Compound ID 5NSjVFLEUbj
InChI InChI=1S/C17H19NO5/c1-11-8-9-17(13(3)19,10-12(11)2)23-16(20)14-4-6-15(7-5-14)18(21)22/h4-7H,8-10H2,1-3H3/t17-/m1/s1
InChIKey JUHCGWSEIUSUID-QGZVFWFLSA-N
Mol Weight 317.34 g/mol
Molecular Formula C17H19NO5
Exact Mass 317.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX4eQYiDRKQ
Name (1-acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5
InChI InChI=1S/C17H19NO5/c1-11-8-9-17(13(3)19,10-12(11)2)23-16(20)14-4-6-15(7-5-14)18(21)22/h4-7H,8-10H2,1-3H3/t17-/m1/s1
InChIKey JUHCGWSEIUSUID-QGZVFWFLSA-N
Molecular Weight 317.341 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]2(CC(C)=C(CC2)C)C(=O)C)=O)cc1
SPLASH splash10-000f-9600000000-44846f24c33efbc7a905
Source of Spectrum F-55-14540-5
Synonyms (1-ethanoyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate 4-Nitrobenzoic acid (1-acetyl-3,4-dimethyl-1-cyclohex-3-enyl) ester 4-Nitrobenzoic acid (1-acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) ester
Wiley ID 840202