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1-ACETYL-4-METHYL-3-CYCLOHEXEN-1-YL-PARA-NITROBENZOATE
SpectraBase Compound ID 7XoJ0QV7GpF
InChI InChI=1S/C16H17NO5/c1-11-7-9-16(10-8-11,12(2)18)22-15(19)13-3-5-14(6-4-13)17(20)21/h3-7H,8-10H2,1-2H3
InChIKey RTORHTVLHUZKHB-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwIEVZ3LpiP
Name Ethanone, 1-[4-methyl-1-[(4-nitrobenzoyl)oxy]-3-cyclohexen-1-yl]-
CAS Registry Number 111945-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-11-7-9-16(10-8-11,12(2)18)22-15(19)13-3-5-14(6-4-13)17(20)21/h3-7H,8-10H2,1-2H3
InChIKey RTORHTVLHUZKHB-UHFFFAOYSA-N
Molecular Weight 303.314 g/mol
SMILES c1(N(=O)=O)ccc(C(OC2(C(=O)C)CC=C(CC2)C)=O)cc1
SPLASH splash10-0uk9-1900000000-5c87c3a38a640187a71c
Source of Spectrum J-55-1032-8
Synonyms (1-acetyl-4-methyl-cyclohex-3-en-1-yl) 4-nitrobenzoate (1-ethanoyl-4-methyl-cyclohex-3-en-1-yl) 4-nitrobenzoate 4-Nitrobenzoic acid (1-acetyl-4-methyl-1-cyclohex-3-enyl) ester 4-Nitrobenzoic acid (1-acetyl-4-methyl-cyclohex-3-en-1-yl) ester
Wiley ID 1305555