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1,2-Cycloheptapyrazoledicarboxylic acid, 3,8a-dihydro-3-methoxy-, dimethyl ester, trans-
SpectraBase Compound ID C1ZVhAuPdGP
InChI InChI=1S/C13H16N2O5/c1-18-11-9-7-5-4-6-8-10(9)14(12(16)19-2)15(11)13(17)20-3/h4-8,10-11H,1-3H3/t10-,11+/m0/s1
InChIKey VUTMCRDZOZHZII-WDEREUQCSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2E9EaGaNoy3
Name 1,2-Cycloheptapyrazoledicarboxylic acid, 3,8a-dihydro-3-methoxy-, dimethyl ester, trans-
CAS Registry Number 97245-12-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-18-11-9-7-5-4-6-8-10(9)14(12(16)19-2)15(11)13(17)20-3/h4-8,10-11H,1-3H3/t10-,11+/m0/s1
InChIKey VUTMCRDZOZHZII-WDEREUQCSA-N
Molecular Weight 280.280 g/mol
SMILES [C@]12(N(N([C@@](C1=CC=CC=C2)(OC)[H])C(=O)OC)C(=O)OC)[H]
SPLASH splash10-014i-0960000000-a472f7afa0ad700a2f74
Source of Spectrum K-118-1850-14
Synonyms Dimethyl (3R,8aS)-3-methoxy-3,8a-dihydrocyclohepta[c]pyrazole-1,2-dicarboxylate Dimethyl trans-1,2,3,8a-tetrahydro-3-methoxy-1,2-diazaazulene-1,2-dicarboxylate
Wiley ID 1283531