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6-Azatetracyclo[6.5.0.0(1,7).0(4,11)]trideca-2,12-dien-5-one
SpectraBase Compound ID HRemcAnAne2
InChI InChI=1S/C12H13NO/c14-11-8-4-6-12-5-3-7(8)1-2-9(12)10(12)13-11/h3-10H,1-2H2,(H,13,14)/t7-,8+,9-,10+,12+/m1/s1
InChIKey BGCTYDXQUBEWOO-ULHKAFAUSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vOTCWIjDja
Name 6-Azatetracyclo[6.5.0.0(1,7).0(4,11)]trideca-2,12-dien-5-one
Alternate Name(s) 2-Amino-6-carboxy-1,7-ethano-spiro[2.6]nona-4,8-diene lactam
CAS Registry Number 56689-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c14-11-8-4-6-12-5-3-7(8)1-2-9(12)10(12)13-11/h3-10H,1-2H2,(H,13,14)/t7-,8+,9-,10+,12+/m1/s1
InChIKey BGCTYDXQUBEWOO-ULHKAFAUSA-N
Molecular Weight 187.242 g/mol
SMILES N1C([C@@]2([C@@]3(CC[C@]4([C@]([C@@]14[H])(C=C3)C=C2)[H])[H])[H])=O
SPLASH splash10-0059-3900000000-7f5b06d60c920c8620bb
Source of Spectrum EP-5682-0-0
Wiley ID 1183933