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(3R,8aR)-3-methoxy-3,8a-dihydrocyclohepta[c]pyrazole-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID AJ80rCr3Amu
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-/m1/s1
InChIKey VUTMCRDZOZHZII-GHMZBOCLSA-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 DvJ3jhIpqcw
Name (3R,8aR)-3-methoxy-3,8a-dihydrocyclohepta[c]pyrazole-1,2-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl (3R,8aR)-3-methoxy-3,8a-dihydrocyclohepta[c]pyrazole-1,2-dicarboxylate
CAS Registry Number 97245-11-9
Copyright Copyright © 2020-2024 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-/m1/s1
InChIKey VUTMCRDZOZHZII-GHMZBOCLSA-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-0960000000-3a072ae10915de8db9fe
Source of Spectrum K-118-1850-13
Wiley ID 1283530