| SpectraBase Spectrum ID |
GtOmCYCTNFC |
| Name |
6H-3a,7-Methanoazulen-6-one, 1,2,3,7,8,8a-hexahydro-8-(hydroxymethyl)-3,8-dimethyl-, (3.alpha.,3a.beta.,7.beta.,8.alpha.,8a.alpha.)-(.+-.)- |
| CAS Registry Number |
88555-76-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-9-3-4-12-13(2,8-15)10-7-14(9,12)6-5-11(10)16/h5-6,9-10,12,15H,3-4,7-8H2,1-2H3/t9-,10+,12+,13+,14-/m1/s1 |
| InChIKey |
FFMXXGDCYVEVRQ-NGKICAJHSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
OC[C@@]1([C@]2([C@@]3(C=CC([C@@]1(C3)[H])=O)[C@@](CC2)(C)[H])[H])C |
| SPLASH |
splash10-0006-0910000000-0b067d4c3c03bb2c62d5 |
| Source of Spectrum |
F-39-2767-0 |
| Synonyms |
(1R,2R,5R,6R,7R)-6-(hydroxymethyl)-2,6-dimethyltricyclo[5.3.1.0(1,5)]undec-9-en-8-one
1SR,2RS,5RS,6SR,7RS-2,6-dimethyl-6-hydroxymethyltricyclo[5.3.1.0(1,5)]undec-9-en-8-one |
| Wiley ID |
1220157 |
