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5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester
SpectraBase Compound ID GVm0BWoCZqs
InChI InChI=1S/C12H13NO5/c1-18-12(15)10-8-5-3-2-4-7(8)6-9(11(10)14)13(16)17/h6,14H,2-5H2,1H3
InChIKey RDEAYQFBOCIQOC-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHadNuljLkT
Name 5,6,7,8-Tetrahydro-3-nitronaphthalen-2-ol-1-carboxylic acid, methyl ester
CAS Registry Number 89586-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-18-12(15)10-8-5-3-2-4-7(8)6-9(11(10)14)13(16)17/h6,14H,2-5H2,1H3
InChIKey RDEAYQFBOCIQOC-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES Oc1c(cc2c(c1C(=O)OC)CCCC2)N(=O)=O
SPLASH splash10-01b9-7980000000-d0bc1543c302fb56acb1
Synonyms 2-Hydroxy-3-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid methyl ester 6-Hydroxy-7-nitro-tetralin-5-carboxylic acid methyl ester Methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydro-1-naphthalenecarboxylate Methyl 2-hydroxy-3-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxylate Methyl 3-nitro-2-oxidanyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate Methyl 6-hydroxy-7-nitro-tetralin-5-carboxylate
Wiley ID 1478893