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Benzoic acid, 2-[2-[(3-methyl-2-butenyl)oxy]benzoyl]-6-nitro-
SpectraBase Compound ID 2lEkfZ3yPb
InChI InChI=1S/C19H17NO6/c1-12(2)10-11-26-16-9-4-3-6-13(16)18(21)14-7-5-8-15(20(24)25)17(14)19(22)23/h3-10H,11H2,1-2H3,(H,22,23)
InChIKey HNVUBHGHGXOIKQ-UHFFFAOYSA-N
Mol Weight 355.35 g/mol
Molecular Formula C19H17NO6
Exact Mass 355.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDdjJPefJX1
Name Benzoic acid, 2-[2-[(3-methyl-2-butenyl)oxy]benzoyl]-6-nitro-
Alternate Name(s) 2-{2-[(3-methyl-2-butenyl)oxy]benzoyl}-6-nitrobenzoic acid 6-[2-(3-methyl-2-butenyloxy)benzoyl]-2-nitrobenzoesaure
CAS Registry Number 96597-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO6
InChI InChI=1S/C19H17NO6/c1-12(2)10-11-26-16-9-4-3-6-13(16)18(21)14-7-5-8-15(20(24)25)17(14)19(22)23/h3-10H,11H2,1-2H3,(H,22,23)
InChIKey HNVUBHGHGXOIKQ-UHFFFAOYSA-N
Molecular Weight 355.346 g/mol
SMILES OC(c1c(C(c2c(OCC=C(C)C)cccc2)=O)cccc1N(=O)=O)=O
SPLASH splash10-03y0-0960000000-da868833eef898800a8b
Source of Spectrum K-118-1068-20
Wiley ID 1345221