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5,6,7,8-Tetrahydro-1-nitronaphthalen-2-ol-3-carboxylic acid, methyl ester
SpectraBase Compound ID 2N03wSrVHyX
InChI InChI=1S/C12H13NO5/c1-18-12(15)9-6-7-4-2-3-5-8(7)10(11(9)14)13(16)17/h6,14H,2-5H2,1H3
InChIKey XHLOQNRVQZPHLC-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 FYpEz67KRt0
Name 5,6,7,8-Tetrahydro-1-nitronaphthalen-2-ol-3-carboxylic acid, methyl ester
CAS Registry Number 89586-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-18-12(15)9-6-7-4-2-3-5-8(7)10(11(9)14)13(16)17/h6,14H,2-5H2,1H3
InChIKey XHLOQNRVQZPHLC-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES Oc1c(c2c(CCCC2)cc1C(=O)OC)N(=O)=O
SPLASH splash10-014i-7940000000-ce5089b5a175395330fc
Synonyms 3-Hydroxy-4-nitro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid methyl ester 7-Hydroxy-8-nitro-tetralin-6-carboxylic acid methyl ester Methyl 3-hydroxy-4-nitro-5,6,7,8-tetrahydro-2-naphthalenecarboxylate Methyl 3-hydroxy-4-nitro-5,6,7,8-tetrahydronaphthalene-2-carboxylate Methyl 4-nitro-3-oxidanyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate Methyl 7-hydroxy-8-nitro-tetralin-6-carboxylate
Wiley ID 1478894